REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3dc1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPXX XXXXXXXXGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSXIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.103 176.300 -0.329 0.000 1.140 1 M CA 0.000 55.091 55.300 -0.349 0.000 0.988 1 M CB 0.000 32.511 32.600 -0.148 0.000 1.302 2 N N 0.541 119.073 118.700 -0.280 0.000 2.623 2 N HA 0.357 5.130 4.740 0.055 0.000 0.256 2 N C -0.872 174.645 175.510 0.011 0.000 1.045 2 N CA -0.275 52.705 53.050 -0.117 0.000 0.863 2 N CB 0.494 38.938 38.487 -0.072 0.000 1.182 2 N HN 0.368 nan 8.380 nan 0.000 0.523 3 Y N 1.534 121.980 120.300 0.244 0.000 2.517 3 Y HA 0.224 4.808 4.550 0.055 0.000 0.281 3 Y C 2.116 178.171 175.900 0.258 0.000 1.125 3 Y CA 0.520 58.837 58.100 0.362 0.000 1.283 3 Y CB 0.246 38.823 38.460 0.194 0.000 1.042 3 Y HN 0.670 nan 8.280 nan 0.000 0.547 4 A N 1.303 124.264 122.820 0.234 0.000 1.972 4 A HA -0.205 4.148 4.320 0.055 0.000 0.219 4 A C 2.186 179.800 177.584 0.050 0.000 1.169 4 A CA 1.591 53.705 52.037 0.129 0.000 0.635 4 A CB -0.563 18.481 19.000 0.073 0.000 0.810 4 A HN 0.584 nan 8.150 nan 0.000 0.446 5 R N -2.073 118.383 120.500 -0.073 0.000 2.307 5 R HA 0.117 4.490 4.340 0.055 0.000 0.199 5 R C 0.795 176.940 176.300 -0.260 0.000 1.000 5 R CA 1.095 57.053 56.100 -0.236 0.000 1.023 5 R CB -0.491 29.571 30.300 -0.397 0.000 0.908 5 R HN 0.456 nan 8.270 nan 0.000 0.473 6 F N 0.869 120.875 119.950 0.092 0.000 2.695 6 F HA 0.403 4.963 4.527 0.054 0.000 0.303 6 F C 0.436 176.306 175.800 0.117 0.000 1.091 6 F CA -0.441 57.635 58.000 0.126 0.000 1.300 6 F CB 0.719 39.824 39.000 0.175 0.000 1.071 6 F HN -0.125 nan 8.300 nan 0.000 0.578 7 I N -0.082 120.626 120.570 0.230 0.000 2.439 7 I HA 0.172 4.375 4.170 0.055 0.000 0.285 7 I C 0.045 176.220 176.117 0.097 0.000 1.021 7 I CA -0.615 60.781 61.300 0.159 0.000 1.091 7 I CB 1.609 39.695 38.000 0.143 0.000 1.242 7 I HN -0.213 nan 8.210 nan 0.000 0.439 8 T N 4.149 118.752 114.554 0.082 0.000 2.908 8 T HA -0.027 4.356 4.350 0.055 0.000 0.325 8 T C 1.475 176.192 174.700 0.028 0.000 1.092 8 T CA 0.508 62.637 62.100 0.049 0.000 1.125 8 T CB 1.120 70.014 68.868 0.043 0.000 1.016 8 T HN 0.789 nan 8.240 nan 0.000 0.550 9 A N 2.667 125.497 122.820 0.017 0.000 1.892 9 A HA -0.080 4.272 4.320 0.055 0.000 0.218 9 A C 2.575 180.160 177.584 0.002 0.000 1.188 9 A CA 2.162 54.205 52.037 0.009 0.000 0.631 9 A CB -1.272 17.730 19.000 0.004 0.000 0.822 9 A HN 0.988 nan 8.150 nan 0.000 0.447 10 A N -1.016 121.800 122.820 -0.006 0.000 1.851 10 A HA -0.159 4.194 4.320 0.055 0.000 0.216 10 A C 2.484 180.047 177.584 -0.035 0.000 1.195 10 A CA 2.343 54.365 52.037 -0.025 0.000 0.622 10 A CB -1.281 17.697 19.000 -0.037 0.000 0.831 10 A HN 0.602 nan 8.150 nan 0.000 0.444 11 S N -0.860 114.823 115.700 -0.028 0.000 2.420 11 S HA -0.105 4.398 4.470 0.055 0.000 0.237 11 S C 1.903 176.501 174.600 -0.004 0.000 1.023 11 S CA 1.702 59.888 58.200 -0.024 0.000 0.991 11 S CB -0.375 62.831 63.200 0.009 0.000 0.792 11 S HN 0.832 nan 8.310 nan 0.000 0.488 12 A N 0.030 122.854 122.820 0.007 0.000 2.044 12 A HA 0.584 4.937 4.320 0.055 0.000 0.213 12 A C 2.082 179.672 177.584 0.009 0.000 1.169 12 A CA 0.912 52.959 52.037 0.017 0.000 0.724 12 A CB -0.636 18.380 19.000 0.026 0.000 0.840 12 A HN 0.594 nan 8.150 nan 0.000 0.463 13 A N -0.111 122.709 122.820 0.000 0.000 2.235 13 A HA 0.155 4.508 4.320 0.055 0.000 0.208 13 A C 1.067 178.648 177.584 -0.005 0.000 1.172 13 A CA -0.281 51.755 52.037 -0.002 0.000 0.786 13 A CB -0.264 18.733 19.000 -0.005 0.000 0.804 13 A HN 0.463 nan 8.150 nan 0.000 0.479 14 R N 1.587 122.082 120.500 -0.008 0.000 2.401 14 R HA 0.180 4.552 4.340 0.055 0.000 0.299 14 R C -0.902 175.400 176.300 0.003 0.000 1.064 14 R CA -0.091 56.005 56.100 -0.007 0.000 1.000 14 R CB 0.232 30.524 30.300 -0.013 0.000 0.973 14 R HN 0.341 nan 8.270 nan 0.000 0.438 15 N N 3.795 122.498 118.700 0.004 0.000 2.361 15 N HA 0.326 5.099 4.740 0.055 0.000 0.302 15 N C -2.443 173.072 175.510 0.009 0.000 1.074 15 N CA -1.768 51.286 53.050 0.007 0.000 0.850 15 N CB 1.453 39.943 38.487 0.005 0.000 1.228 15 N HN 0.340 nan 8.380 nan 0.000 0.491 16 P HA 0.034 nan 4.420 nan 0.000 0.267 16 P C -0.375 176.929 177.300 0.006 0.000 1.205 16 P CA 0.065 63.171 63.100 0.010 0.000 0.765 16 P CB 0.695 32.399 31.700 0.008 0.000 0.828 17 S N 3.132 118.837 115.700 0.007 0.000 2.327 17 S HA 0.409 4.912 4.470 0.055 0.000 0.203 17 S C -2.159 172.438 174.600 -0.006 0.000 1.326 17 S CA -1.144 57.057 58.200 0.002 0.000 1.248 17 S CB -0.528 62.677 63.200 0.008 0.000 1.199 17 S HN 0.232 nan 8.310 nan 0.000 0.422 30 P HA -0.119 nan 4.420 nan 0.000 0.219 30 P C 1.085 178.382 177.300 -0.005 0.000 1.161 30 P CA 1.981 65.079 63.100 -0.004 0.000 0.909 30 P CB 0.029 31.727 31.700 -0.004 0.000 0.793 31 K N -2.509 117.888 120.400 -0.005 0.000 1.009 31 K HA -0.215 4.137 4.320 0.055 0.000 0.792 31 K C 0.059 176.656 176.600 -0.005 0.000 2.000 31 K CA 0.929 57.212 56.287 -0.005 0.000 1.316 31 K CB -2.817 29.679 32.500 -0.006 0.000 2.454 31 K HN 0.619 nan 8.250 nan 0.000 0.347 32 S N -2.008 113.688 115.700 -0.006 0.000 3.231 32 S HA -0.266 4.237 4.470 0.055 0.000 0.334 32 S C 0.002 174.599 174.600 -0.006 0.000 0.910 32 S CA 1.271 59.467 58.200 -0.006 0.000 1.342 32 S CB -1.355 61.842 63.200 -0.006 0.000 0.950 32 S HN 1.415 nan 8.310 nan 0.000 0.526 33 M N 3.562 123.159 119.600 -0.006 0.000 2.363 33 M HA 0.754 5.267 4.480 0.055 0.000 0.343 33 M C -0.559 175.738 176.300 -0.005 0.000 1.165 33 M CA -0.646 54.651 55.300 -0.005 0.000 1.046 33 M CB 1.156 33.753 32.600 -0.005 0.000 1.648 33 M HN 0.486 nan 8.290 nan 0.000 0.452 34 I N 3.103 123.671 120.570 -0.005 0.000 2.336 34 I HA 0.362 4.565 4.170 0.055 0.000 0.292 34 I C -0.380 175.735 176.117 -0.004 0.000 0.991 34 I CA -0.365 60.932 61.300 -0.005 0.000 1.227 34 I CB 1.637 39.635 38.000 -0.005 0.000 1.366 34 I HN 0.682 nan 8.210 nan 0.000 0.466 35 S N 6.307 122.004 115.700 -0.004 0.000 2.502 35 S HA 0.616 5.118 4.470 0.055 0.000 0.304 35 S C 0.197 174.797 174.600 -0.002 0.000 1.097 35 S CA -0.526 57.673 58.200 -0.002 0.000 1.045 35 S CB 1.028 64.227 63.200 -0.002 0.000 1.019 35 S HN 0.635 nan 8.310 nan 0.000 0.481 36 L N 3.473 124.696 121.223 -0.001 0.000 3.086 36 L HA 0.407 4.779 4.340 0.055 0.000 0.274 36 L C 1.590 178.461 176.870 0.001 0.000 1.184 36 L CA 0.117 54.957 54.840 -0.000 0.000 1.002 36 L CB 0.289 42.348 42.059 -0.001 0.000 1.383 36 L HN 0.738 nan 8.230 nan 0.000 0.582 37 A N 0.280 123.101 122.820 0.001 0.000 2.423 37 A HA 0.446 4.799 4.320 0.055 0.000 0.246 37 A C 1.131 178.716 177.584 0.000 0.000 1.278 37 A CA 0.117 52.154 52.037 0.000 0.000 0.903 37 A CB -0.430 18.569 19.000 -0.002 0.000 0.997 37 A HN 0.236 nan 8.150 nan 0.000 0.510 38 G N -1.483 107.319 108.800 0.004 0.000 2.594 38 G HA2 0.393 4.386 3.960 0.055 0.000 0.243 38 G HA3 0.393 4.386 3.960 0.055 0.000 0.243 38 G C 0.833 175.740 174.900 0.012 0.000 1.229 38 G CA 0.208 45.313 45.100 0.008 0.000 0.843 38 G HN 0.528 nan 8.290 nan 0.000 0.578 39 G N -0.144 108.664 108.800 0.012 0.000 3.062 39 G HA2 0.219 4.212 3.960 0.055 0.000 0.228 39 G HA3 0.219 4.212 3.960 0.055 0.000 0.228 39 G C 0.740 175.690 174.900 0.084 0.000 1.094 39 G CA -0.519 44.594 45.100 0.022 0.000 0.782 39 G HN 0.537 nan 8.290 nan 0.000 0.541 40 L N 2.783 124.073 121.223 0.113 0.000 2.640 40 L HA 0.122 4.494 4.340 0.055 0.000 0.280 40 L C -1.485 175.477 176.870 0.153 0.000 1.229 40 L CA -0.927 54.036 54.840 0.206 0.000 0.919 40 L CB -0.363 41.783 42.059 0.145 0.000 1.168 40 L HN 0.090 nan 8.230 nan 0.000 0.496 41 P HA -0.005 nan 4.420 nan 0.000 0.272 41 P C -0.454 176.818 177.300 -0.048 0.000 1.223 41 P CA -0.498 62.651 63.100 0.080 0.000 0.784 41 P CB 0.519 32.311 31.700 0.152 0.000 0.923 42 N N 3.050 121.668 118.700 -0.137 0.000 2.406 42 N HA 0.010 4.783 4.740 0.055 0.000 0.274 42 N C -1.226 174.006 175.510 -0.462 0.000 1.249 42 N CA -1.448 51.476 53.050 -0.209 0.000 0.951 42 N CB 0.223 38.612 38.487 -0.163 0.000 1.241 42 N HN 0.257 nan 8.380 nan 0.000 0.485 43 P HA -0.053 nan 4.420 nan 0.000 0.230 43 P C 0.526 177.546 177.300 -0.466 0.000 1.158 43 P CA 0.630 63.405 63.100 -0.542 0.000 0.769 43 P CB 0.473 32.140 31.700 -0.055 0.000 0.807 44 N N -0.438 118.081 118.700 -0.301 0.000 2.520 44 N HA -0.001 4.772 4.740 0.055 0.000 0.185 44 N C 1.455 176.852 175.510 -0.188 0.000 1.068 44 N CA 0.811 53.759 53.050 -0.169 0.000 0.911 44 N CB -0.253 38.165 38.487 -0.115 0.000 0.961 44 N HN 0.197 nan 8.380 nan 0.000 0.446 45 M N -0.183 119.198 119.600 -0.366 0.000 2.618 45 M HA 0.084 4.597 4.480 0.055 0.000 0.240 45 M C -0.316 175.952 176.300 -0.054 0.000 1.123 45 M CA 0.272 55.430 55.300 -0.236 0.000 1.060 45 M CB -0.383 32.051 32.600 -0.276 0.000 1.535 45 M HN -0.166 nan 8.290 nan 0.000 0.507 46 F N 1.103 121.037 119.950 -0.027 0.000 2.375 46 F HA 0.292 4.826 4.527 0.012 0.000 0.333 46 F C -1.358 174.380 175.800 -0.103 0.000 1.104 46 F CA -2.577 55.396 58.000 -0.046 0.000 1.149 46 F CB -0.400 38.618 39.000 0.030 0.000 1.190 46 F HN -0.064 nan 8.300 nan 0.000 0.533 47 P HA -0.003 nan 4.420 nan 0.000 0.230 47 P C -0.399 176.774 177.300 -0.211 0.000 1.168 47 P CA 0.791 63.727 63.100 -0.273 0.000 0.793 47 P CB 0.162 31.510 31.700 -0.587 0.000 0.851 48 F N 0.319 120.317 119.950 0.080 0.000 2.420 48 F HA 0.281 4.841 4.527 0.056 0.000 0.352 48 F C 1.665 177.529 175.800 0.107 0.000 1.108 48 F CA -0.076 57.961 58.000 0.062 0.000 1.162 48 F CB 0.727 39.738 39.000 0.018 0.000 1.118 48 F HN -0.322 nan 8.300 nan 0.000 0.510 49 K N 0.554 121.109 120.400 0.258 0.000 2.344 49 K HA 0.167 4.520 4.320 0.055 0.000 0.200 49 K C 0.444 177.153 176.600 0.181 0.000 1.132 49 K CA 0.734 57.128 56.287 0.179 0.000 0.935 49 K CB 0.449 33.015 32.500 0.111 0.000 1.089 49 K HN 0.723 nan 8.250 nan 0.000 0.496 50 T N -1.561 113.099 114.554 0.176 0.000 2.894 50 T HA 0.796 5.179 4.350 0.055 0.000 0.309 50 T C -1.395 173.381 174.700 0.128 0.000 1.208 50 T CA -0.898 61.295 62.100 0.156 0.000 1.016 50 T CB 2.376 71.303 68.868 0.099 0.000 1.192 50 T HN 0.076 nan 8.240 nan 0.000 0.491 51 A N 1.461 124.337 122.820 0.093 0.000 2.449 51 A HA 0.902 5.255 4.320 0.055 0.000 0.302 51 A C -0.388 177.119 177.584 -0.128 0.000 1.048 51 A CA -0.598 51.404 52.037 -0.059 0.000 0.708 51 A CB 1.751 20.612 19.000 -0.231 0.000 1.274 51 A HN 2.107 nan 8.150 nan 0.000 0.410 52 V N -0.135 119.699 119.914 -0.133 0.000 2.638 52 V HA 0.876 5.029 4.120 0.055 0.000 0.306 52 V C -0.902 175.096 176.094 -0.161 0.000 1.052 52 V CA -0.601 61.619 62.300 -0.133 0.000 0.885 52 V CB 1.175 32.958 31.823 -0.067 0.000 0.999 52 V HN 0.735 nan 8.190 nan 0.000 0.424 53 I N 4.110 124.568 120.570 -0.187 0.000 2.533 53 I HA 0.577 4.780 4.170 0.055 0.000 0.290 53 I C 0.249 176.284 176.117 -0.138 0.000 1.056 53 I CA -0.470 60.727 61.300 -0.172 0.000 1.057 53 I CB 2.772 40.627 38.000 -0.242 0.000 1.240 53 I HN 0.938 nan 8.210 nan 0.000 0.423 54 T N 2.817 117.308 114.554 -0.104 0.000 2.928 54 T HA 0.743 5.126 4.350 0.055 0.000 0.284 54 T C -0.495 174.150 174.700 -0.092 0.000 1.008 54 T CA -0.661 61.388 62.100 -0.085 0.000 1.057 54 T CB 1.909 70.745 68.868 -0.054 0.000 1.018 54 T HN 0.232 nan 8.240 nan 0.000 0.493 55 V N 1.984 121.849 119.914 -0.083 0.000 2.588 55 V HA 0.390 4.543 4.120 0.055 0.000 0.304 55 V C 0.197 176.286 176.094 -0.008 0.000 1.042 55 V CA -1.009 61.242 62.300 -0.082 0.000 0.877 55 V CB 1.634 33.359 31.823 -0.162 0.000 0.996 55 V HN 1.055 nan 8.190 nan 0.000 0.425 56 E N 3.668 123.888 120.200 0.033 0.000 2.366 56 E HA 0.096 4.478 4.350 0.055 0.000 0.266 56 E C 0.237 176.922 176.600 0.143 0.000 1.015 56 E CA 0.300 56.744 56.400 0.075 0.000 0.906 56 E CB -0.014 29.735 29.700 0.081 0.000 0.979 56 E HN 0.819 nan 8.360 nan 0.000 0.443 57 N N 2.073 120.844 118.700 0.119 0.000 2.714 57 N HA -0.224 4.549 4.740 0.055 0.000 0.253 57 N C -0.523 175.135 175.510 0.248 0.000 1.024 57 N CA 0.225 53.369 53.050 0.156 0.000 0.726 57 N CB -0.835 37.739 38.487 0.144 0.000 0.908 57 N HN 0.553 nan 8.380 nan 0.000 0.542 58 G N -0.206 108.682 108.800 0.147 0.000 2.667 58 G HA2 0.371 4.364 3.960 0.055 0.000 0.294 58 G HA3 0.371 4.364 3.960 0.055 0.000 0.294 58 G C -1.116 173.791 174.900 0.012 0.000 1.467 58 G CA -1.031 44.129 45.100 0.100 0.000 0.852 58 G HN 0.112 nan 8.290 nan 0.000 0.521 59 K N 1.192 121.587 120.400 -0.008 0.000 2.451 59 K HA 0.213 4.566 4.320 0.055 0.000 0.280 59 K C 0.494 177.050 176.600 -0.073 0.000 1.020 59 K CA 0.237 56.505 56.287 -0.031 0.000 1.008 59 K CB 0.368 32.854 32.500 -0.023 0.000 0.917 59 K HN 0.428 nan 8.250 nan 0.000 0.478 60 T N 4.071 118.590 114.554 -0.059 0.000 2.800 60 T HA -0.049 4.334 4.350 0.055 0.000 0.283 60 T C 0.662 175.310 174.700 -0.087 0.000 0.999 60 T CA 0.250 62.304 62.100 -0.076 0.000 1.176 60 T CB -0.182 68.653 68.868 -0.053 0.000 0.973 60 T HN 0.305 nan 8.240 nan 0.000 0.519 61 I N 4.165 124.659 120.570 -0.126 0.000 2.496 61 I HA 0.142 4.344 4.170 0.055 0.000 0.285 61 I C 0.816 176.869 176.117 -0.108 0.000 1.080 61 I CA 0.104 61.334 61.300 -0.117 0.000 1.404 61 I CB 0.493 38.387 38.000 -0.176 0.000 1.403 61 I HN 0.481 nan 8.210 nan 0.000 0.539 62 Q N 5.902 125.705 119.800 0.004 0.000 2.337 62 Q HA 0.488 4.861 4.340 0.055 0.000 0.270 62 Q C -1.496 174.696 176.000 0.320 0.000 1.043 62 Q CA -0.777 55.055 55.803 0.049 0.000 0.794 62 Q CB 2.757 31.516 28.738 0.035 0.000 1.281 62 Q HN 0.369 nan 8.270 nan 0.000 0.446 63 F N 0.991 120.893 119.950 -0.080 0.000 2.388 63 F HA 0.436 4.994 4.527 0.052 0.000 0.358 63 F C 0.892 176.678 175.800 -0.023 0.000 1.122 63 F CA -1.135 56.823 58.000 -0.070 0.000 1.056 63 F CB 1.049 40.004 39.000 -0.075 0.000 1.155 63 F HN 0.572 nan 8.300 nan 0.000 0.461 64 G N 2.553 111.438 108.800 0.141 0.000 2.616 64 G HA2 0.193 4.186 3.960 0.055 0.000 0.268 64 G HA3 0.193 4.186 3.960 0.055 0.000 0.268 64 G C 0.866 175.817 174.900 0.084 0.000 1.213 64 G CA -0.436 44.714 45.100 0.083 0.000 0.926 64 G HN 0.586 nan 8.290 nan 0.000 0.523 65 E N 0.052 120.291 120.200 0.065 0.000 2.171 65 E HA -0.181 4.201 4.350 0.055 0.000 0.197 65 E C 1.590 178.218 176.600 0.046 0.000 0.997 65 E CA 1.225 57.665 56.400 0.066 0.000 0.810 65 E CB -0.117 29.613 29.700 0.049 0.000 0.738 65 E HN 0.549 nan 8.360 nan 0.000 0.467 66 E N 0.703 120.910 120.200 0.012 0.000 2.008 66 E HA -0.078 4.305 4.350 0.055 0.000 0.191 66 E C 2.049 178.619 176.600 -0.050 0.000 0.986 66 E CA 0.773 57.164 56.400 -0.015 0.000 0.807 66 E CB -0.478 29.206 29.700 -0.028 0.000 0.766 66 E HN 0.139 nan 8.360 nan 0.000 0.450 67 M N 0.981 120.517 119.600 -0.106 0.000 2.190 67 M HA -0.275 4.238 4.480 0.055 0.000 0.252 67 M C 2.309 178.464 176.300 -0.243 0.000 1.076 67 M CA 1.772 56.923 55.300 -0.247 0.000 1.079 67 M CB -0.712 31.676 32.600 -0.353 0.000 1.303 67 M HN 0.195 nan 8.290 nan 0.000 0.412 68 M N -0.005 119.568 119.600 -0.045 0.000 2.073 68 M HA -0.237 4.276 4.480 0.055 0.000 0.258 68 M C 1.844 178.241 176.300 0.162 0.000 1.070 68 M CA 2.072 57.471 55.300 0.165 0.000 1.103 68 M CB -0.574 32.188 32.600 0.269 0.000 1.321 68 M HN 0.293 nan 8.290 nan 0.000 0.405 69 K N -0.705 119.765 120.400 0.118 0.000 2.074 69 K HA -0.241 4.112 4.320 0.055 0.000 0.209 69 K C 2.318 178.978 176.600 0.100 0.000 1.048 69 K CA 1.928 58.291 56.287 0.127 0.000 0.926 69 K CB -0.471 32.071 32.500 0.069 0.000 0.713 69 K HN 0.455 nan 8.250 nan 0.000 0.444 70 R N 0.532 121.040 120.500 0.014 0.000 2.148 70 R HA -0.070 4.303 4.340 0.055 0.000 0.227 70 R C 1.886 178.183 176.300 -0.004 0.000 1.103 70 R CA 1.162 57.252 56.100 -0.018 0.000 0.983 70 R CB -0.032 30.211 30.300 -0.096 0.000 0.874 70 R HN 0.168 nan 8.270 nan 0.000 0.451 71 A N 0.139 122.962 122.820 0.004 0.000 2.169 71 A HA 0.100 4.453 4.320 0.055 0.000 0.212 71 A C 1.638 179.360 177.584 0.229 0.000 1.153 71 A CA 0.359 52.441 52.037 0.075 0.000 0.756 71 A CB 0.144 19.167 19.000 0.039 0.000 0.813 71 A HN 0.310 nan 8.150 nan 0.000 0.471 72 L N -0.869 120.479 121.223 0.208 0.000 2.693 72 L HA 0.191 4.563 4.340 0.055 0.000 0.235 72 L C 0.608 177.544 176.870 0.108 0.000 1.127 72 L CA -0.141 54.789 54.840 0.151 0.000 0.914 72 L CB 0.250 42.461 42.059 0.252 0.000 1.193 72 L HN 0.329 nan 8.230 nan 0.000 0.502 73 Q N -0.473 119.410 119.800 0.139 0.000 2.301 73 Q HA 0.284 4.656 4.340 0.055 0.000 0.267 73 Q C -0.940 175.104 176.000 0.074 0.000 1.035 73 Q CA -0.671 55.210 55.803 0.130 0.000 0.856 73 Q CB 0.936 29.759 28.738 0.142 0.000 1.337 73 Q HN -0.014 nan 8.270 nan 0.000 0.450 74 Y N 0.876 121.274 120.300 0.163 0.000 2.805 74 Y HA 0.157 4.733 4.550 0.044 0.000 0.337 74 Y C 0.801 176.627 175.900 -0.122 0.000 1.252 74 Y CA 1.106 59.279 58.100 0.122 0.000 1.515 74 Y CB 0.345 38.878 38.460 0.122 0.000 1.305 74 Y HN 0.676 nan 8.280 nan 0.000 0.600 75 S N 2.427 117.894 115.700 -0.389 0.000 2.811 75 S HA 0.754 5.257 4.470 0.055 0.000 0.311 75 S C -3.025 171.340 174.600 -0.392 0.000 1.152 75 S CA -1.978 56.000 58.200 -0.371 0.000 0.864 75 S CB 1.741 64.756 63.200 -0.308 0.000 1.226 75 S HN 0.243 nan 8.310 nan 0.000 0.541 76 P HA 0.316 nan 4.420 nan 0.000 0.268 76 P C 0.465 177.736 177.300 -0.047 0.000 1.205 76 P CA -0.197 62.847 63.100 -0.093 0.000 0.771 76 P CB 0.410 32.079 31.700 -0.051 0.000 0.858 77 S N 2.153 117.869 115.700 0.027 0.000 2.380 77 S HA -0.233 4.270 4.470 0.055 0.000 0.229 77 S C 1.669 176.325 174.600 0.093 0.000 1.043 77 S CA 1.825 60.083 58.200 0.096 0.000 1.038 77 S CB -0.754 62.484 63.200 0.063 0.000 0.872 77 S HN 0.661 nan 8.310 nan 0.000 0.456 78 A N 0.423 123.276 122.820 0.054 0.000 2.308 78 A HA 0.598 4.950 4.320 0.055 0.000 0.217 78 A C 0.903 178.518 177.584 0.051 0.000 1.216 78 A CA 0.445 52.512 52.037 0.049 0.000 0.864 78 A CB -0.079 18.940 19.000 0.031 0.000 0.902 78 A HN 0.879 nan 8.150 nan 0.000 0.499 79 G N -0.149 108.678 108.800 0.045 0.000 2.348 79 G HA2 0.252 4.245 3.960 0.055 0.000 0.606 79 G HA3 0.252 4.245 3.960 0.055 0.000 0.606 79 G C -0.253 174.648 174.900 0.002 0.000 1.466 79 G CA -0.520 44.604 45.100 0.039 0.000 0.950 79 G HN 1.080 nan 8.290 nan 0.000 0.657 80 I N 0.206 120.769 120.570 -0.013 0.000 2.815 80 I HA 0.281 4.484 4.170 0.055 0.000 0.291 80 I C -0.913 175.191 176.117 -0.021 0.000 1.209 80 I CA -1.209 60.068 61.300 -0.039 0.000 1.431 80 I CB 1.078 39.041 38.000 -0.062 0.000 1.351 80 I HN 0.332 nan 8.210 nan 0.000 0.585 81 P HA -0.171 nan 4.420 nan 0.000 0.225 81 P C 0.920 178.228 177.300 0.013 0.000 1.148 81 P CA 1.297 64.394 63.100 -0.005 0.000 0.779 81 P CB -0.040 31.651 31.700 -0.015 0.000 0.780 82 E N -0.190 120.002 120.200 -0.013 0.000 2.250 82 E HA -0.067 4.316 4.350 0.055 0.000 0.192 82 E C 1.984 178.675 176.600 0.152 0.000 0.986 82 E CA 0.393 56.798 56.400 0.009 0.000 0.849 82 E CB -1.068 28.525 29.700 -0.178 0.000 0.797 82 E HN 0.196 nan 8.360 nan 0.000 0.482 83 L N 1.000 122.262 121.223 0.065 0.000 2.095 83 L HA 0.061 4.434 4.340 0.055 0.000 0.204 83 L C 2.371 179.286 176.870 0.075 0.000 1.080 83 L CA 1.148 56.027 54.840 0.066 0.000 0.759 83 L CB -0.501 41.552 42.059 -0.010 0.000 0.914 83 L HN 0.044 nan 8.230 nan 0.000 0.439 84 L N -0.429 120.822 121.223 0.047 0.000 2.042 84 L HA -0.223 4.150 4.340 0.055 0.000 0.210 84 L C 2.687 179.588 176.870 0.052 0.000 1.076 84 L CA 1.657 56.518 54.840 0.034 0.000 0.749 84 L CB -0.681 41.393 42.059 0.026 0.000 0.893 84 L HN 0.535 nan 8.230 nan 0.000 0.432 85 S N -1.731 114.018 115.700 0.081 0.000 2.423 85 S HA -0.245 4.258 4.470 0.055 0.000 0.231 85 S C 1.644 176.297 174.600 0.089 0.000 1.014 85 S CA 0.641 58.886 58.200 0.075 0.000 0.965 85 S CB -0.744 62.502 63.200 0.078 0.000 0.785 85 S HN 0.586 nan 8.310 nan 0.000 0.495 86 W N 1.762 123.027 121.300 -0.057 0.000 2.443 86 W HA 0.253 4.947 4.660 0.056 0.000 0.296 86 W C 1.774 178.179 176.519 -0.191 0.000 1.202 86 W CA 0.470 57.727 57.345 -0.147 0.000 1.312 86 W CB -0.051 29.256 29.460 -0.256 0.000 1.120 86 W HN 0.216 nan 8.180 nan 0.000 0.536 87 L N 0.619 121.942 121.223 0.166 0.000 2.056 87 L HA -0.172 4.201 4.340 0.055 0.000 0.207 87 L C 2.416 179.248 176.870 -0.063 0.000 1.078 87 L CA 1.380 56.177 54.840 -0.072 0.000 0.749 87 L CB -0.952 40.843 42.059 -0.441 0.000 0.901 87 L HN -0.158 nan 8.230 nan 0.000 0.433 88 K N -0.398 119.984 120.400 -0.030 0.000 2.063 88 K HA -0.239 4.114 4.320 0.055 0.000 0.208 88 K C 2.269 178.833 176.600 -0.059 0.000 1.048 88 K CA 1.427 57.702 56.287 -0.021 0.000 0.928 88 K CB -0.116 32.379 32.500 -0.008 0.000 0.713 88 K HN 0.323 nan 8.250 nan 0.000 0.442 89 Q N 0.776 120.508 119.800 -0.113 0.000 1.967 89 Q HA -0.180 4.193 4.340 0.055 0.000 0.202 89 Q C 2.317 178.178 176.000 -0.233 0.000 0.985 89 Q CA 1.502 57.190 55.803 -0.191 0.000 0.839 89 Q CB -0.268 28.295 28.738 -0.293 0.000 0.906 89 Q HN 0.278 nan 8.270 nan 0.000 0.423 90 L N 1.219 122.233 121.223 -0.349 0.000 2.103 90 L HA -0.301 4.072 4.340 0.055 0.000 0.215 90 L C 2.329 179.156 176.870 -0.073 0.000 1.080 90 L CA 1.775 56.453 54.840 -0.270 0.000 0.764 90 L CB -0.268 41.660 42.059 -0.218 0.000 0.890 90 L HN 0.257 nan 8.230 nan 0.000 0.435 91 Q N -0.231 119.564 119.800 -0.008 0.000 2.083 91 Q HA -0.080 4.293 4.340 0.055 0.000 0.198 91 Q C 2.394 178.407 176.000 0.021 0.000 0.969 91 Q CA 1.913 57.768 55.803 0.086 0.000 0.838 91 Q CB -0.240 28.578 28.738 0.133 0.000 0.900 91 Q HN 0.672 nan 8.270 nan 0.000 0.436 92 I N 0.663 121.210 120.570 -0.039 0.000 2.454 92 I HA -0.248 3.954 4.170 0.055 0.000 0.254 92 I C 2.207 178.284 176.117 -0.067 0.000 1.156 92 I CA 1.005 62.267 61.300 -0.063 0.000 1.433 92 I CB -0.065 37.883 38.000 -0.086 0.000 1.082 92 I HN 0.056 nan 8.210 nan 0.000 0.432 93 K N 0.366 120.714 120.400 -0.086 0.000 2.202 93 K HA 0.152 4.505 4.320 0.055 0.000 0.201 93 K C 1.993 178.544 176.600 -0.081 0.000 1.051 93 K CA 0.740 56.977 56.287 -0.084 0.000 0.977 93 K CB 0.121 32.553 32.500 -0.115 0.000 0.792 93 K HN 0.304 nan 8.250 nan 0.000 0.469 94 L N -0.613 120.523 121.223 -0.144 0.000 2.270 94 L HA -0.053 4.320 4.340 0.055 0.000 0.210 94 L C 1.172 177.781 176.870 -0.436 0.000 1.104 94 L CA 1.206 55.870 54.840 -0.294 0.000 0.804 94 L CB -0.159 41.655 42.059 -0.408 0.000 0.937 94 L HN 0.285 nan 8.230 nan 0.000 0.450 95 H N -3.166 115.900 119.070 -0.007 0.000 3.580 95 H HA 0.093 4.682 4.556 0.054 0.000 0.245 95 H C 0.263 175.554 175.328 -0.062 0.000 1.015 95 H CA -0.173 55.847 56.048 -0.047 0.000 1.113 95 H CB 0.482 30.191 29.762 -0.089 0.000 1.469 95 H HN 0.087 nan 8.280 nan 0.000 0.554 96 N N 1.579 120.296 118.700 0.029 0.000 2.642 96 N HA -0.105 4.668 4.740 0.055 0.000 0.269 96 N C -2.991 172.481 175.510 -0.062 0.000 1.073 96 N CA -0.142 52.887 53.050 -0.034 0.000 0.748 96 N CB -0.403 38.063 38.487 -0.034 0.000 0.894 96 N HN 0.148 nan 8.380 nan 0.000 0.548 97 P HA 0.155 nan 4.420 nan 0.000 0.271 97 P C -1.909 175.267 177.300 -0.207 0.000 1.220 97 P CA -1.197 61.826 63.100 -0.130 0.000 0.768 97 P CB 0.653 32.273 31.700 -0.133 0.000 0.848 98 P HA -0.097 nan 4.420 nan 0.000 0.234 98 P C 1.047 178.019 177.300 -0.547 0.000 1.162 98 P CA 1.382 64.344 63.100 -0.229 0.000 0.759 98 P CB 0.051 31.681 31.700 -0.117 0.000 0.813 99 T N -1.741 112.426 114.554 -0.645 0.000 3.023 99 T HA 0.111 4.494 4.350 0.055 0.000 0.253 99 T C 1.450 175.742 174.700 -0.679 0.000 1.038 99 T CA -0.210 61.215 62.100 -1.124 0.000 0.962 99 T CB -0.577 67.971 68.868 -0.534 0.000 1.018 99 T HN -0.000 nan 8.240 nan 0.000 0.521 100 I N -0.700 119.593 120.570 -0.462 0.000 2.118 100 I HA -0.186 4.017 4.170 0.055 0.000 0.241 100 I C 1.555 177.514 176.117 -0.264 0.000 1.070 100 I CA 1.804 62.878 61.300 -0.377 0.000 1.327 100 I CB -0.733 36.954 38.000 -0.521 0.000 1.034 100 I HN 0.294 nan 8.210 nan 0.000 0.405 101 H N -0.778 118.246 119.070 -0.076 0.000 2.537 101 H HA 0.327 4.916 4.556 0.055 0.000 0.295 101 H C -0.276 175.166 175.328 0.190 0.000 1.054 101 H CA -0.503 55.572 56.048 0.044 0.000 1.156 101 H CB -0.166 29.623 29.762 0.045 0.000 1.468 101 H HN 0.340 nan 8.280 nan 0.000 0.551 102 Y N 1.484 121.845 120.300 0.101 0.000 2.379 102 Y HA 0.059 4.642 4.550 0.055 0.000 0.337 102 Y C -1.757 174.186 175.900 0.071 0.000 1.238 102 Y CA -2.739 55.407 58.100 0.078 0.000 1.405 102 Y CB 0.324 38.823 38.460 0.065 0.000 1.310 102 Y HN 0.065 nan 8.280 nan 0.000 0.569 103 P HA -0.106 nan 4.420 nan 0.000 0.263 103 P C -2.048 175.336 177.300 0.141 0.000 1.175 103 P CA -0.552 62.624 63.100 0.127 0.000 0.761 103 P CB 0.175 31.913 31.700 0.063 0.000 0.794 104 P HA -0.241 nan 4.420 nan 0.000 0.216 104 P C 1.425 178.772 177.300 0.078 0.000 1.157 104 P CA 2.007 65.153 63.100 0.077 0.000 0.880 104 P CB -0.343 31.387 31.700 0.050 0.000 0.791 105 S N -1.348 114.400 115.700 0.081 0.000 2.481 105 S HA -0.107 4.395 4.470 0.055 0.000 0.231 105 S C 1.568 176.271 174.600 0.173 0.000 0.996 105 S CA 0.647 58.907 58.200 0.100 0.000 0.942 105 S CB -1.012 62.237 63.200 0.082 0.000 0.768 105 S HN 0.235 nan 8.310 nan 0.000 0.520 106 Q N 0.802 120.697 119.800 0.158 0.000 2.225 106 Q HA 0.331 4.704 4.340 0.055 0.000 0.222 106 Q C 0.823 177.017 176.000 0.323 0.000 0.887 106 Q CA 0.191 56.109 55.803 0.192 0.000 0.958 106 Q CB 0.094 28.847 28.738 0.025 0.000 1.058 106 Q HN 0.796 nan 8.270 nan 0.000 0.459 107 G N 1.358 110.334 108.800 0.293 0.000 2.141 107 G HA2 -0.315 3.677 3.960 0.055 0.000 0.231 107 G HA3 -0.315 3.677 3.960 0.055 0.000 0.231 107 G C 0.063 175.069 174.900 0.177 0.000 0.984 107 G CA -0.049 45.196 45.100 0.241 0.000 0.660 107 G HN 0.457 nan 8.290 nan 0.000 0.525 108 Q N 0.494 120.400 119.800 0.176 0.000 2.436 108 Q HA 0.145 4.518 4.340 0.055 0.000 0.326 108 Q C 1.214 177.211 176.000 -0.004 0.000 1.079 108 Q CA 0.017 55.875 55.803 0.092 0.000 1.049 108 Q CB 0.140 28.939 28.738 0.100 0.000 1.047 108 Q HN 0.525 nan 8.270 nan 0.000 0.386 109 M N 4.145 123.706 119.600 -0.064 0.000 2.394 109 M HA -0.163 4.349 4.480 0.055 0.000 0.394 109 M C -0.724 175.552 176.300 -0.039 0.000 1.611 109 M CA 1.081 56.340 55.300 -0.068 0.000 0.941 109 M CB 0.041 32.580 32.600 -0.102 0.000 2.094 109 M HN 0.702 nan 8.290 nan 0.000 0.485 110 D N 4.300 124.679 120.400 -0.034 0.000 2.450 110 D HA 0.766 5.439 4.640 0.055 0.000 0.238 110 D C -1.850 174.447 176.300 -0.005 0.000 1.020 110 D CA -0.446 53.542 54.000 -0.020 0.000 1.010 110 D CB 1.640 42.422 40.800 -0.030 0.000 1.342 110 D HN 0.563 nan 8.370 nan 0.000 0.530 111 L N 1.752 122.983 121.223 0.013 0.000 2.588 111 L HA 0.467 4.840 4.340 0.055 0.000 0.263 111 L C -1.456 175.441 176.870 0.046 0.000 0.935 111 L CA -0.517 54.351 54.840 0.046 0.000 0.891 111 L CB 1.027 43.130 42.059 0.073 0.000 1.318 111 L HN 0.710 nan 8.230 nan 0.000 0.409 112 C N 2.379 121.713 119.300 0.056 0.000 2.507 112 C HA 0.848 5.341 4.460 0.055 0.000 0.319 112 C C 0.295 175.342 174.990 0.096 0.000 1.208 112 C CA -1.201 57.852 59.018 0.059 0.000 1.619 112 C CB 0.834 28.598 27.740 0.039 0.000 2.230 112 C HN 0.600 nan 8.230 nan 0.000 0.492 113 V N 3.789 123.759 119.914 0.093 0.000 2.585 113 V HA 0.439 4.591 4.120 0.055 0.000 0.296 113 V C 1.089 177.246 176.094 0.105 0.000 1.035 113 V CA 1.031 63.405 62.300 0.123 0.000 1.084 113 V CB 0.861 32.745 31.823 0.102 0.000 0.953 113 V HN 1.172 nan 8.190 nan 0.000 0.483 114 T N 0.925 115.544 114.554 0.107 0.000 2.926 114 T HA 0.348 4.731 4.350 0.055 0.000 0.289 114 T C 0.162 174.898 174.700 0.061 0.000 1.054 114 T CA -0.718 61.418 62.100 0.059 0.000 1.015 114 T CB 1.607 70.483 68.868 0.013 0.000 1.167 114 T HN 0.356 nan 8.240 nan 0.000 0.526 115 S N 1.424 117.142 115.700 0.029 0.000 4.053 115 S HA 0.511 5.014 4.470 0.055 0.000 0.184 115 S C 0.913 175.529 174.600 0.026 0.000 1.324 115 S CA 0.374 58.590 58.200 0.027 0.000 0.956 115 S CB -1.498 61.701 63.200 -0.002 0.000 1.503 115 S HN 1.443 nan 8.310 nan 0.000 0.440 116 G N 1.415 110.243 108.800 0.046 0.000 2.716 116 G HA2 -0.216 3.777 3.960 0.055 0.000 0.686 116 G HA3 -0.216 3.777 3.960 0.055 0.000 0.686 116 G C 0.701 175.591 174.900 -0.016 0.000 1.337 116 G CA -0.283 44.833 45.100 0.027 0.000 0.829 116 G HN 0.745 nan 8.290 nan 0.000 0.599 117 S N -0.304 115.363 115.700 -0.055 0.000 2.402 117 S HA -0.101 4.402 4.470 0.055 0.000 0.229 117 S C 1.900 176.444 174.600 -0.094 0.000 1.021 117 S CA 1.878 60.011 58.200 -0.111 0.000 0.974 117 S CB -0.140 62.950 63.200 -0.183 0.000 0.800 117 S HN 0.793 nan 8.310 nan 0.000 0.484 118 Q N 0.450 120.217 119.800 -0.056 0.000 2.437 118 Q HA -0.024 4.349 4.340 0.055 0.000 0.210 118 Q C 2.310 178.275 176.000 -0.059 0.000 0.972 118 Q CA 0.762 56.544 55.803 -0.037 0.000 0.903 118 Q CB -0.163 28.594 28.738 0.031 0.000 0.967 118 Q HN 0.719 nan 8.270 nan 0.000 0.486 119 Q N -0.020 119.744 119.800 -0.059 0.000 2.016 119 Q HA -0.142 4.231 4.340 0.055 0.000 0.200 119 Q C 2.053 177.987 176.000 -0.110 0.000 0.978 119 Q CA 1.515 57.274 55.803 -0.074 0.000 0.833 119 Q CB -0.208 28.495 28.738 -0.058 0.000 0.895 119 Q HN 0.470 nan 8.270 nan 0.000 0.427 120 G N 1.412 110.146 108.800 -0.109 0.000 2.440 120 G HA2 -0.287 3.705 3.960 0.055 0.000 0.218 120 G HA3 -0.287 3.705 3.960 0.055 0.000 0.218 120 G C 1.386 176.158 174.900 -0.213 0.000 1.154 120 G CA 0.927 45.947 45.100 -0.133 0.000 0.767 120 G HN 0.399 nan 8.290 nan 0.000 0.552 121 L N -0.282 120.785 121.223 -0.259 0.000 2.109 121 L HA 0.049 4.422 4.340 0.055 0.000 0.207 121 L C 2.814 179.241 176.870 -0.739 0.000 1.086 121 L CA 1.243 55.802 54.840 -0.468 0.000 0.760 121 L CB -0.387 41.479 42.059 -0.321 0.000 0.910 121 L HN 0.287 nan 8.230 nan 0.000 0.437 122 C N 0.406 119.483 119.300 -0.373 0.000 2.436 122 C HA -0.186 4.307 4.460 0.055 0.000 0.277 122 C C 2.793 177.692 174.990 -0.150 0.000 1.241 122 C CA 1.328 60.223 59.018 -0.204 0.000 1.721 122 C CB -0.587 27.118 27.740 -0.059 0.000 2.043 122 C HN 0.501 nan 8.230 nan 0.000 0.472 123 K N 0.083 120.404 120.400 -0.130 0.000 2.209 123 K HA -0.060 4.293 4.320 0.055 0.000 0.204 123 K C 1.721 178.305 176.600 -0.027 0.000 1.048 123 K CA 1.119 57.397 56.287 -0.015 0.000 0.940 123 K CB -0.181 32.292 32.500 -0.045 0.000 0.729 123 K HN 0.458 nan 8.250 nan 0.000 0.451 124 V N 0.036 119.838 119.914 -0.188 0.000 2.548 124 V HA -0.149 4.004 4.120 0.055 0.000 0.249 124 V C 1.603 177.614 176.094 -0.138 0.000 1.055 124 V CA 1.467 63.635 62.300 -0.219 0.000 1.065 124 V CB -0.390 31.218 31.823 -0.359 0.000 0.681 124 V HN 0.259 nan 8.190 nan 0.000 0.462 125 F N 0.292 120.200 119.950 -0.070 0.000 2.206 125 F HA -0.082 4.478 4.527 0.055 0.000 0.298 125 F C 2.434 178.259 175.800 0.042 0.000 1.090 125 F CA 0.942 58.925 58.000 -0.029 0.000 1.323 125 F CB -0.136 38.860 39.000 -0.006 0.000 1.028 125 F HN 0.172 nan 8.300 nan 0.000 0.492 126 E N 0.294 120.614 120.200 0.201 0.000 2.150 126 E HA -0.228 4.155 4.350 0.055 0.000 0.193 126 E C 2.107 178.773 176.600 0.110 0.000 0.985 126 E CA 1.001 57.492 56.400 0.150 0.000 0.814 126 E CB -0.160 29.633 29.700 0.155 0.000 0.752 126 E HN 0.432 nan 8.360 nan 0.000 0.466 127 M N 0.358 120.020 119.600 0.103 0.000 2.200 127 M HA -0.102 4.411 4.480 0.055 0.000 0.265 127 M C 1.776 178.151 176.300 0.126 0.000 1.066 127 M CA 1.531 56.881 55.300 0.084 0.000 1.127 127 M CB 0.193 32.830 32.600 0.062 0.000 1.379 127 M HN 0.083 nan 8.290 nan 0.000 0.420 128 I N -0.318 120.358 120.570 0.178 0.000 2.628 128 I HA 0.026 4.229 4.170 0.055 0.000 0.255 128 I C 0.464 176.726 176.117 0.242 0.000 1.119 128 I CA 0.240 61.694 61.300 0.257 0.000 1.448 128 I CB 0.315 38.525 38.000 0.350 0.000 1.133 128 I HN 0.088 nan 8.210 nan 0.000 0.438 129 I N 2.500 123.207 120.570 0.229 0.000 2.301 129 I HA 0.114 4.317 4.170 0.055 0.000 0.292 129 I C -0.425 175.747 176.117 0.092 0.000 1.046 129 I CA -0.250 61.154 61.300 0.174 0.000 1.282 129 I CB 0.228 38.334 38.000 0.178 0.000 1.409 129 I HN 0.154 nan 8.210 nan 0.000 0.484 130 N N 8.106 126.842 118.700 0.059 0.000 2.509 130 N HA 0.357 5.130 4.740 0.055 0.000 0.287 130 N C -2.505 173.008 175.510 0.005 0.000 1.121 130 N CA -1.574 51.492 53.050 0.025 0.000 0.977 130 N CB 0.929 39.426 38.487 0.016 0.000 1.167 130 N HN 0.194 nan 8.380 nan 0.000 0.476 131 P HA 0.138 nan 4.420 nan 0.000 0.267 131 P C 0.824 178.113 177.300 -0.019 0.000 1.205 131 P CA 0.426 63.514 63.100 -0.019 0.000 0.765 131 P CB 0.516 32.202 31.700 -0.023 0.000 0.828 132 G N 2.093 110.878 108.800 -0.025 0.000 2.259 132 G HA2 -0.174 3.819 3.960 0.055 0.000 0.217 132 G HA3 -0.174 3.819 3.960 0.055 0.000 0.217 132 G C -0.016 174.869 174.900 -0.025 0.000 1.001 132 G CA -0.388 44.700 45.100 -0.019 0.000 0.627 132 G HN 0.498 nan 8.290 nan 0.000 0.501 133 D N 1.477 121.856 120.400 -0.035 0.000 2.419 133 D HA 0.289 4.962 4.640 0.055 0.000 0.236 133 D C 0.327 176.571 176.300 -0.094 0.000 1.165 133 D CA 0.270 54.234 54.000 -0.059 0.000 0.882 133 D CB 0.333 41.102 40.800 -0.053 0.000 1.201 133 D HN 0.245 nan 8.370 nan 0.000 0.443 134 N N 0.285 118.911 118.700 -0.124 0.000 2.421 134 N HA 0.370 5.143 4.740 0.055 0.000 0.285 134 N C -0.569 174.760 175.510 -0.301 0.000 1.027 134 N CA -0.440 52.523 53.050 -0.144 0.000 0.918 134 N CB 1.812 40.270 38.487 -0.048 0.000 1.152 134 N HN 0.201 nan 8.380 nan 0.000 0.485 135 V N -0.049 119.659 119.914 -0.343 0.000 2.876 135 V HA 0.659 4.812 4.120 0.055 0.000 0.312 135 V C -0.774 175.091 176.094 -0.382 0.000 1.085 135 V CA -0.989 60.969 62.300 -0.570 0.000 0.945 135 V CB 1.818 33.114 31.823 -0.877 0.000 1.017 135 V HN 0.368 nan 8.190 nan 0.000 0.428 136 L N 5.496 126.480 121.223 -0.398 0.000 2.307 136 L HA 0.819 5.192 4.340 0.055 0.000 0.284 136 L C -0.169 176.666 176.870 -0.058 0.000 1.023 136 L CA -0.497 54.211 54.840 -0.221 0.000 0.810 136 L CB 1.550 43.426 42.059 -0.304 0.000 1.231 136 L HN 0.848 nan 8.230 nan 0.000 0.423 137 L N 0.141 121.369 121.223 0.007 0.000 2.669 137 L HA 0.701 5.074 4.340 0.055 0.000 0.255 137 L C -1.971 174.940 176.870 0.068 0.000 1.123 137 L CA -0.841 54.061 54.840 0.104 0.000 0.941 137 L CB 2.321 44.549 42.059 0.281 0.000 1.552 137 L HN 0.577 nan 8.230 nan 0.000 0.394 138 D N -0.220 120.228 120.400 0.080 0.000 2.344 138 D HA 0.368 5.041 4.640 0.055 0.000 0.239 138 D C -0.837 175.472 176.300 0.015 0.000 1.064 138 D CA -0.248 53.778 54.000 0.044 0.000 0.829 138 D CB 2.251 43.072 40.800 0.034 0.000 1.129 138 D HN 0.592 nan 8.370 nan 0.000 0.506 139 E N 2.280 122.485 120.200 0.008 0.000 2.249 139 E HA 0.320 4.702 4.350 0.055 0.000 0.280 139 E C -2.225 174.304 176.600 -0.119 0.000 1.016 139 E CA -1.822 54.536 56.400 -0.069 0.000 0.830 139 E CB 1.326 31.064 29.700 0.063 0.000 1.081 139 E HN 0.307 nan 8.360 nan 0.000 0.395 140 P HA 0.123 nan 4.420 nan 0.000 0.275 140 P C -1.394 175.699 177.300 -0.346 0.000 1.228 140 P CA -0.149 62.543 63.100 -0.680 0.000 0.786 140 P CB 0.989 32.077 31.700 -1.021 0.000 0.927 141 A N 2.573 125.285 122.820 -0.180 0.000 2.423 141 A HA 0.473 4.826 4.320 0.055 0.000 0.304 141 A C -1.260 176.427 177.584 0.171 0.000 1.104 141 A CA -0.845 51.215 52.037 0.039 0.000 0.757 141 A CB 0.597 19.653 19.000 0.093 0.000 1.313 141 A HN 0.586 nan 8.150 nan 0.000 0.423 142 Y N 2.153 122.549 120.300 0.159 0.000 2.650 142 Y HA 0.137 4.720 4.550 0.054 0.000 0.331 142 Y C 1.664 177.617 175.900 0.088 0.000 1.165 142 Y CA 0.745 58.970 58.100 0.208 0.000 1.473 142 Y CB 0.792 39.382 38.460 0.217 0.000 1.224 142 Y HN 0.874 nan 8.280 nan 0.000 0.533 143 S N 2.893 118.328 115.700 -0.441 0.000 2.407 143 S HA -0.259 4.244 4.470 0.055 0.000 0.235 143 S C 1.956 176.137 174.600 -0.697 0.000 1.036 143 S CA 1.274 59.099 58.200 -0.625 0.000 1.013 143 S CB -1.089 61.658 63.200 -0.755 0.000 0.820 143 S HN 0.978 nan 8.310 nan 0.000 0.476 144 G N 1.070 109.048 108.800 -1.370 0.000 2.408 144 G HA2 -0.085 3.908 3.960 0.055 0.000 0.217 144 G HA3 -0.085 3.908 3.960 0.055 0.000 0.217 144 G C 1.461 176.193 174.900 -0.280 0.000 1.150 144 G CA 1.273 45.895 45.100 -0.797 0.000 0.776 144 G HN 0.571 nan 8.290 nan 0.000 0.542 145 T N 1.393 115.828 114.554 -0.199 0.000 2.851 145 T HA 0.066 4.448 4.350 0.055 0.000 0.262 145 T C 2.444 177.043 174.700 -0.169 0.000 1.043 145 T CA 0.487 62.547 62.100 -0.065 0.000 1.140 145 T CB -0.159 68.658 68.868 -0.086 0.000 0.872 145 T HN 0.128 nan 8.240 nan 0.000 0.446 146 L N 1.015 122.129 121.223 -0.182 0.000 1.997 146 L HA -0.194 4.179 4.340 0.055 0.000 0.216 146 L C 2.916 179.723 176.870 -0.105 0.000 1.074 146 L CA 1.387 56.137 54.840 -0.150 0.000 0.763 146 L CB -0.640 41.329 42.059 -0.150 0.000 0.890 146 L HN 0.242 nan 8.230 nan 0.000 0.434 147 Q N -1.101 118.624 119.800 -0.125 0.000 2.311 147 Q HA -0.099 4.274 4.340 0.055 0.000 0.203 147 Q C 2.380 178.386 176.000 0.009 0.000 0.954 147 Q CA 1.059 56.829 55.803 -0.056 0.000 0.885 147 Q CB -0.017 28.661 28.738 -0.100 0.000 0.963 147 Q HN 0.374 nan 8.270 nan 0.000 0.471 148 S N 0.361 116.061 115.700 -0.001 0.000 2.371 148 S HA 0.037 4.540 4.470 0.055 0.000 0.224 148 S C 1.857 176.476 174.600 0.032 0.000 1.029 148 S CA 0.455 58.694 58.200 0.064 0.000 0.978 148 S CB 0.085 63.386 63.200 0.169 0.000 0.833 148 S HN 0.280 nan 8.310 nan 0.000 0.466 149 L N 0.594 121.771 121.223 -0.077 0.000 2.270 149 L HA 0.010 4.383 4.340 0.055 0.000 0.210 149 L C 2.490 179.319 176.870 -0.069 0.000 1.104 149 L CA 0.999 55.734 54.840 -0.175 0.000 0.804 149 L CB -0.573 41.285 42.059 -0.336 0.000 0.937 149 L HN 0.526 nan 8.230 nan 0.000 0.450 150 H N 1.740 120.752 119.070 -0.096 0.000 2.321 150 H HA -0.095 4.494 4.556 0.055 0.000 0.300 150 H C -0.684 174.616 175.328 -0.046 0.000 1.087 150 H CA 1.506 57.511 56.048 -0.072 0.000 1.319 150 H CB -0.644 29.078 29.762 -0.065 0.000 1.379 150 H HN 0.198 nan 8.280 nan 0.000 0.501 151 P HA -0.055 nan 4.420 nan 0.000 0.233 151 P C 1.547 178.752 177.300 -0.159 0.000 1.167 151 P CA 0.367 63.303 63.100 -0.275 0.000 0.770 151 P CB 0.063 31.702 31.700 -0.101 0.000 0.837 152 L N -0.738 120.423 121.223 -0.104 0.000 2.478 152 L HA 0.126 4.499 4.340 0.055 0.000 0.223 152 L C 1.482 178.311 176.870 -0.068 0.000 1.140 152 L CA 1.637 56.447 54.840 -0.050 0.000 0.842 152 L CB -1.775 40.282 42.059 -0.003 0.000 0.953 152 L HN 0.178 nan 8.230 nan 0.000 0.452 153 G N 0.526 109.257 108.800 -0.116 0.000 2.225 153 G HA2 -0.286 3.707 3.960 0.055 0.000 0.264 153 G HA3 -0.286 3.707 3.960 0.055 0.000 0.264 153 G C 0.482 175.341 174.900 -0.068 0.000 1.060 153 G CA 0.279 45.320 45.100 -0.099 0.000 0.833 153 G HN 0.477 nan 8.290 nan 0.000 0.498 154 C N -0.627 118.627 119.300 -0.075 0.000 2.459 154 C HA 0.693 5.186 4.460 0.055 0.000 0.374 154 C C 0.654 175.601 174.990 -0.072 0.000 1.241 154 C CA -1.897 57.072 59.018 -0.082 0.000 2.352 154 C CB 0.909 28.576 27.740 -0.122 0.000 2.490 154 C HN 0.468 nan 8.230 nan 0.000 0.583 155 N N 1.927 120.587 118.700 -0.067 0.000 2.399 155 N HA 0.243 5.016 4.740 0.055 0.000 0.259 155 N C -0.323 175.138 175.510 -0.083 0.000 1.160 155 N CA 0.297 53.315 53.050 -0.053 0.000 0.946 155 N CB 0.431 38.902 38.487 -0.027 0.000 1.156 155 N HN 0.662 nan 8.380 nan 0.000 0.489 156 I N 3.436 123.964 120.570 -0.070 0.000 2.452 156 I HA 0.139 4.342 4.170 0.055 0.000 0.287 156 I C 0.520 176.606 176.117 -0.051 0.000 1.079 156 I CA 0.032 61.284 61.300 -0.080 0.000 1.387 156 I CB 0.380 38.343 38.000 -0.062 0.000 1.404 156 I HN 0.223 nan 8.210 nan 0.000 0.522 157 I N 6.233 126.764 120.570 -0.065 0.000 2.382 157 I HA 0.212 4.415 4.170 0.055 0.000 0.286 157 I C -0.061 176.040 176.117 -0.027 0.000 1.002 157 I CA -0.598 60.681 61.300 -0.036 0.000 1.135 157 I CB 1.437 39.422 38.000 -0.026 0.000 1.288 157 I HN 0.521 nan 8.210 nan 0.000 0.448 158 N N 5.617 124.318 118.700 0.002 0.000 2.488 158 N HA 0.322 5.095 4.740 0.055 0.000 0.274 158 N C -1.025 174.498 175.510 0.022 0.000 1.111 158 N CA -0.089 52.976 53.050 0.024 0.000 0.974 158 N CB 1.109 39.628 38.487 0.054 0.000 1.089 158 N HN 0.275 nan 8.380 nan 0.000 0.465 159 V N 2.178 122.108 119.914 0.027 0.000 2.547 159 V HA 0.678 4.831 4.120 0.055 0.000 0.299 159 V C 0.409 176.532 176.094 0.048 0.000 1.040 159 V CA -1.053 61.266 62.300 0.030 0.000 0.913 159 V CB 1.245 33.083 31.823 0.025 0.000 0.992 159 V HN 0.895 nan 8.190 nan 0.000 0.449 160 A N 3.739 126.591 122.820 0.053 0.000 2.407 160 A HA 0.695 5.048 4.320 0.055 0.000 0.248 160 A C 0.436 178.057 177.584 0.062 0.000 1.082 160 A CA 0.044 52.120 52.037 0.064 0.000 0.785 160 A CB 0.268 19.307 19.000 0.064 0.000 1.020 160 A HN 1.102 nan 8.150 nan 0.000 0.489 161 S N 0.532 116.272 115.700 0.066 0.000 2.704 161 S HA 0.873 5.376 4.470 0.055 0.000 0.296 161 S C -0.902 173.739 174.600 0.068 0.000 1.138 161 S CA -0.152 58.080 58.200 0.053 0.000 0.875 161 S CB 1.997 65.213 63.200 0.027 0.000 1.151 161 S HN 1.017 nan 8.310 nan 0.000 0.500 162 D N -0.542 119.888 120.400 0.050 0.000 3.145 162 D HA 0.204 4.877 4.640 0.055 0.000 0.345 162 D C 0.289 176.576 176.300 -0.022 0.000 1.391 162 D CA -0.548 53.486 54.000 0.057 0.000 0.930 162 D CB -0.521 40.311 40.800 0.054 0.000 1.451 162 D HN 0.372 nan 8.370 nan 0.000 0.555 163 E N -0.232 119.875 120.200 -0.155 0.000 2.253 163 E HA -0.096 4.286 4.350 0.055 0.000 0.202 163 E C 0.825 177.330 176.600 -0.159 0.000 1.014 163 E CA 2.123 58.297 56.400 -0.375 0.000 0.823 163 E CB -0.264 29.166 29.700 -0.451 0.000 0.736 163 E HN 0.325 nan 8.360 nan 0.000 0.478 164 S N -0.807 114.848 115.700 -0.075 0.000 2.749 164 S HA 0.489 4.992 4.470 0.055 0.000 0.246 164 S C 0.511 175.107 174.600 -0.007 0.000 1.023 164 S CA -0.135 58.044 58.200 -0.034 0.000 1.012 164 S CB 0.905 64.092 63.200 -0.022 0.000 0.942 164 S HN 0.525 nan 8.310 nan 0.000 0.531 165 G N 2.412 111.209 108.800 -0.005 0.000 2.542 165 G HA2 -0.229 3.764 3.960 0.055 0.000 0.235 165 G HA3 -0.229 3.764 3.960 0.055 0.000 0.235 165 G C -0.364 174.557 174.900 0.035 0.000 1.286 165 G CA -0.753 44.356 45.100 0.014 0.000 0.904 165 G HN 0.382 nan 8.290 nan 0.000 0.577 166 I N 1.054 121.659 120.570 0.058 0.000 2.845 166 I HA 0.082 4.284 4.170 0.055 0.000 0.290 166 I C 1.118 177.280 176.117 0.074 0.000 1.202 166 I CA 0.054 61.398 61.300 0.073 0.000 1.406 166 I CB 0.325 38.389 38.000 0.107 0.000 1.383 166 I HN 0.351 nan 8.210 nan 0.000 0.549 167 V N 10.545 130.498 119.914 0.065 0.000 2.421 167 V HA 0.023 4.176 4.120 0.055 0.000 0.271 167 V C -0.906 175.233 176.094 0.075 0.000 1.031 167 V CA -0.817 61.521 62.300 0.063 0.000 1.032 167 V CB 0.539 32.396 31.823 0.057 0.000 1.009 167 V HN 0.692 nan 8.190 nan 0.000 0.477 168 P HA -0.082 nan 4.420 nan 0.000 0.221 168 P C 1.015 178.369 177.300 0.090 0.000 1.150 168 P CA 0.754 63.915 63.100 0.101 0.000 0.800 168 P CB 0.487 32.252 31.700 0.108 0.000 0.787 169 D N -0.322 120.122 120.400 0.073 0.000 2.182 169 D HA -0.134 4.539 4.640 0.055 0.000 0.201 169 D C 2.184 178.520 176.300 0.060 0.000 0.986 169 D CA 1.271 55.310 54.000 0.065 0.000 0.847 169 D CB -0.552 40.280 40.800 0.053 0.000 0.942 169 D HN 0.140 nan 8.370 nan 0.000 0.467 170 S N -0.487 115.247 115.700 0.058 0.000 2.357 170 S HA -0.093 4.409 4.470 0.055 0.000 0.221 170 S C 1.886 176.514 174.600 0.046 0.000 1.031 170 S CA 0.308 58.536 58.200 0.047 0.000 0.982 170 S CB -0.299 62.930 63.200 0.048 0.000 0.853 170 S HN 0.138 nan 8.310 nan 0.000 0.458 171 L N 2.189 123.449 121.223 0.062 0.000 2.043 171 L HA -0.023 4.350 4.340 0.055 0.000 0.212 171 L C 2.498 179.409 176.870 0.068 0.000 1.075 171 L CA 1.914 56.795 54.840 0.068 0.000 0.752 171 L CB -0.834 41.295 42.059 0.117 0.000 0.891 171 L HN 0.295 nan 8.230 nan 0.000 0.432 172 R N -0.737 119.815 120.500 0.088 0.000 2.073 172 R HA -0.163 4.210 4.340 0.055 0.000 0.234 172 R C 1.886 178.222 176.300 0.060 0.000 1.134 172 R CA 1.805 57.964 56.100 0.097 0.000 0.952 172 R CB -0.240 30.125 30.300 0.109 0.000 0.850 172 R HN 0.414 nan 8.270 nan 0.000 0.433 173 D N 0.130 120.556 120.400 0.042 0.000 2.178 173 D HA -0.141 4.532 4.640 0.055 0.000 0.201 173 D C 1.772 178.065 176.300 -0.012 0.000 0.980 173 D CA 1.025 55.036 54.000 0.019 0.000 0.842 173 D CB -0.057 40.753 40.800 0.017 0.000 0.948 173 D HN 0.322 nan 8.370 nan 0.000 0.472 174 I N 0.114 120.678 120.570 -0.010 0.000 2.252 174 I HA -0.192 4.011 4.170 0.055 0.000 0.245 174 I C 2.125 178.227 176.117 -0.026 0.000 1.102 174 I CA 0.747 62.030 61.300 -0.028 0.000 1.385 174 I CB -0.162 37.833 38.000 -0.007 0.000 1.064 174 I HN -0.000 nan 8.210 nan 0.000 0.414 175 L N 0.539 121.745 121.223 -0.030 0.000 2.156 175 L HA -0.126 4.247 4.340 0.055 0.000 0.208 175 L C 2.708 179.571 176.870 -0.013 0.000 1.095 175 L CA 1.112 55.898 54.840 -0.091 0.000 0.770 175 L CB -0.623 41.069 42.059 -0.612 0.000 0.914 175 L HN 0.284 nan 8.230 nan 0.000 0.439 176 S N 0.789 116.497 115.700 0.013 0.000 2.440 176 S HA -0.278 4.225 4.470 0.055 0.000 0.240 176 S C 1.941 176.529 174.600 -0.020 0.000 1.014 176 S CA 1.363 59.601 58.200 0.063 0.000 0.980 176 S CB -0.771 62.460 63.200 0.052 0.000 0.775 176 S HN 0.592 nan 8.310 nan 0.000 0.499 177 R N -0.044 120.345 120.500 -0.185 0.000 2.341 177 R HA -0.005 4.368 4.340 0.055 0.000 0.213 177 R C 0.118 176.136 176.300 -0.471 0.000 1.082 177 R CA 0.552 56.407 56.100 -0.407 0.000 1.017 177 R CB -0.179 29.715 30.300 -0.676 0.000 0.860 177 R HN 0.514 nan 8.270 nan 0.000 0.473 178 W N 1.436 122.754 121.300 0.030 0.000 2.894 178 W HA 0.432 5.125 4.660 0.055 0.000 0.345 178 W C -0.262 176.379 176.519 0.202 0.000 1.152 178 W CA -1.003 56.399 57.345 0.096 0.000 1.089 178 W CB 0.986 30.508 29.460 0.103 0.000 1.454 178 W HN -0.200 nan 8.180 nan 0.000 0.589 179 K N 0.474 121.142 120.400 0.446 0.000 2.267 179 K HA 0.371 4.724 4.320 0.055 0.000 0.246 179 K C -2.139 174.615 176.600 0.256 0.000 0.954 179 K CA -1.824 54.651 56.287 0.314 0.000 0.824 179 K CB 1.323 33.917 32.500 0.156 0.000 1.167 179 K HN -0.170 nan 8.250 nan 0.000 0.431 180 P HA -0.227 nan 4.420 nan 0.000 0.218 180 P C 0.591 177.868 177.300 -0.037 0.000 1.152 180 P CA 1.598 64.570 63.100 -0.214 0.000 0.857 180 P CB 0.220 31.729 31.700 -0.318 0.000 0.787 181 E N -0.855 119.346 120.200 0.003 0.000 2.331 181 E HA -0.165 4.218 4.350 0.055 0.000 0.199 181 E C 1.389 178.007 176.600 0.030 0.000 1.008 181 E CA 1.035 57.441 56.400 0.011 0.000 0.843 181 E CB -0.816 28.896 29.700 0.019 0.000 0.761 181 E HN 0.332 nan 8.360 nan 0.000 0.507 182 D N -0.353 120.093 120.400 0.077 0.000 2.347 182 D HA 0.016 4.689 4.640 0.055 0.000 0.215 182 D C 1.666 177.957 176.300 -0.015 0.000 0.976 182 D CA 0.833 54.876 54.000 0.072 0.000 0.884 182 D CB -0.138 40.772 40.800 0.183 0.000 0.915 182 D HN 0.215 nan 8.370 nan 0.000 0.526 183 A N 0.841 123.650 122.820 -0.018 0.000 1.940 183 A HA -0.218 4.134 4.320 0.055 0.000 0.219 183 A C 1.951 179.484 177.584 -0.086 0.000 1.176 183 A CA 1.362 53.362 52.037 -0.062 0.000 0.631 183 A CB -0.296 18.685 19.000 -0.032 0.000 0.814 183 A HN 0.136 nan 8.150 nan 0.000 0.446 184 K N -0.581 119.784 120.400 -0.058 0.000 2.459 184 K HA 0.024 4.377 4.320 0.055 0.000 0.193 184 K C 0.192 176.759 176.600 -0.054 0.000 1.030 184 K CA 0.119 56.369 56.287 -0.062 0.000 1.026 184 K CB 0.096 32.569 32.500 -0.046 0.000 0.809 184 K HN 0.314 nan 8.250 nan 0.000 0.504 185 N N 0.937 119.611 118.700 -0.044 0.000 2.707 185 N HA 0.138 4.911 4.740 0.055 0.000 0.235 185 N C -2.402 173.082 175.510 -0.042 0.000 1.028 185 N CA -2.156 50.877 53.050 -0.029 0.000 0.906 185 N CB 1.421 39.909 38.487 0.003 0.000 1.131 185 N HN -0.191 nan 8.380 nan 0.000 0.509 186 P HA -0.099 nan 4.420 nan 0.000 0.219 186 P C 0.804 178.080 177.300 -0.039 0.000 1.146 186 P CA 1.209 64.267 63.100 -0.070 0.000 0.808 186 P CB 0.448 32.108 31.700 -0.067 0.000 0.779 187 Q N -0.835 118.957 119.800 -0.013 0.000 2.378 187 Q HA -0.058 4.315 4.340 0.055 0.000 0.205 187 Q C 1.576 177.601 176.000 0.042 0.000 0.954 187 Q CA 0.631 56.440 55.803 0.010 0.000 0.901 187 Q CB -0.175 28.570 28.738 0.011 0.000 0.981 187 Q HN 0.155 nan 8.270 nan 0.000 0.483 188 K N 0.827 121.259 120.400 0.053 0.000 2.283 188 K HA -0.058 4.295 4.320 0.055 0.000 0.202 188 K C 0.354 177.053 176.600 0.165 0.000 1.048 188 K CA 0.399 56.767 56.287 0.136 0.000 0.948 188 K CB -0.149 32.440 32.500 0.148 0.000 0.742 188 K HN 0.217 nan 8.250 nan 0.000 0.458 189 N N 1.233 119.946 118.700 0.022 0.000 2.735 189 N HA -0.134 4.639 4.740 0.055 0.000 0.248 189 N C -0.719 174.647 175.510 -0.241 0.000 1.083 189 N CA 1.274 54.307 53.050 -0.027 0.000 0.703 189 N CB -2.137 36.399 38.487 0.083 0.000 1.005 189 N HN 0.396 nan 8.380 nan 0.000 0.550 190 T N -1.542 112.697 114.554 -0.525 0.000 2.939 190 T HA 0.219 4.601 4.350 0.055 0.000 0.319 190 T C -2.263 172.044 174.700 -0.654 0.000 1.082 190 T CA -0.944 60.547 62.100 -1.014 0.000 1.133 190 T CB 0.461 68.926 68.868 -0.673 0.000 1.019 190 T HN -0.045 nan 8.240 nan 0.000 0.548 191 P HA 0.096 nan 4.420 nan 0.000 0.258 191 P C 0.498 177.673 177.300 -0.209 0.000 1.172 191 P CA -0.120 62.690 63.100 -0.483 0.000 0.762 191 P CB 0.379 31.696 31.700 -0.639 0.000 0.764 192 K N 3.505 123.807 120.400 -0.164 0.000 2.152 192 K HA 0.002 4.355 4.320 0.055 0.000 0.206 192 K C 0.570 177.424 176.600 0.423 0.000 1.048 192 K CA 1.314 57.683 56.287 0.136 0.000 0.933 192 K CB -0.365 32.215 32.500 0.134 0.000 0.721 192 K HN 0.646 nan 8.250 nan 0.000 0.447 193 F N -3.591 116.429 119.950 0.117 0.000 2.746 193 F HA 0.344 4.904 4.527 0.055 0.000 0.311 193 F C -1.770 173.988 175.800 -0.071 0.000 1.135 193 F CA -1.845 56.239 58.000 0.140 0.000 0.954 193 F CB 0.614 39.714 39.000 0.166 0.000 1.276 193 F HN -0.287 nan 8.300 nan 0.000 0.440 194 L N 3.894 125.277 121.223 0.268 0.000 2.265 194 L HA 0.516 4.889 4.340 0.055 0.000 0.289 194 L C -1.372 175.691 176.870 0.322 0.000 1.033 194 L CA -0.588 54.342 54.840 0.150 0.000 0.814 194 L CB 0.786 42.928 42.059 0.137 0.000 1.203 194 L HN 0.726 nan 8.230 nan 0.000 0.423 195 Y N 4.562 125.018 120.300 0.260 0.000 2.320 195 Y HA 0.642 5.225 4.550 0.055 0.000 0.334 195 Y C -0.231 175.735 175.900 0.109 0.000 1.055 195 Y CA -0.013 58.222 58.100 0.225 0.000 1.143 195 Y CB 1.330 39.992 38.460 0.337 0.000 1.193 195 Y HN 0.750 nan 8.280 nan 0.000 0.477 196 T N 4.785 118.973 114.554 -0.610 0.000 2.883 196 T HA 0.563 4.945 4.350 0.055 0.000 0.301 196 T C -2.017 172.336 174.700 -0.577 0.000 1.158 196 T CA -0.657 61.169 62.100 -0.458 0.000 1.007 196 T CB 1.046 69.824 68.868 -0.150 0.000 1.186 196 T HN 0.423 nan 8.240 nan 0.000 0.499 197 V N 5.916 125.664 119.914 -0.276 0.000 2.284 197 V HA 0.347 4.500 4.120 0.055 0.000 0.274 197 V C -1.765 174.321 176.094 -0.013 0.000 1.023 197 V CA -1.512 60.715 62.300 -0.121 0.000 0.808 197 V CB 1.197 33.015 31.823 -0.009 0.000 1.035 197 V HN 0.735 nan 8.190 nan 0.000 0.445 198 P HA 0.025 nan 4.420 nan 0.000 0.233 198 P C 0.179 177.506 177.300 0.044 0.000 1.167 198 P CA 0.815 63.963 63.100 0.080 0.000 0.770 198 P CB 0.287 32.079 31.700 0.154 0.000 0.837 199 N N -0.465 118.263 118.700 0.046 0.000 2.296 199 N HA 0.258 5.031 4.740 0.055 0.000 0.294 199 N C 0.154 175.651 175.510 -0.022 0.000 1.033 199 N CA -0.506 52.552 53.050 0.013 0.000 0.839 199 N CB 1.464 39.966 38.487 0.025 0.000 1.395 199 N HN -0.133 nan 8.380 nan 0.000 0.479 200 G N 2.331 111.060 108.800 -0.118 0.000 2.256 200 G HA2 -0.318 3.675 3.960 0.055 0.000 0.269 200 G HA3 -0.318 3.675 3.960 0.055 0.000 0.269 200 G C 0.564 175.343 174.900 -0.201 0.000 0.443 200 G CA 0.525 45.523 45.100 -0.169 0.000 1.051 200 G HN 0.798 nan 8.290 nan 0.000 0.442 201 N N 0.445 119.095 118.700 -0.084 0.000 1.863 201 N HA -0.183 4.590 4.740 0.055 0.000 0.317 201 N C 0.324 175.764 175.510 -0.116 0.000 1.256 201 N CA 0.282 53.292 53.050 -0.066 0.000 0.793 201 N CB 0.197 38.618 38.487 -0.110 0.000 1.017 201 N HN 0.499 nan 8.380 nan 0.000 0.498 202 N N 4.426 123.138 118.700 0.020 0.000 2.408 202 N HA 0.200 4.973 4.740 0.055 0.000 0.257 202 N C -2.003 173.390 175.510 -0.194 0.000 1.064 202 N CA -2.090 50.953 53.050 -0.012 0.000 0.952 202 N CB 1.164 39.811 38.487 0.267 0.000 1.093 202 N HN 0.419 nan 8.380 nan 0.000 0.490 203 P HA 0.108 nan 4.420 nan 0.000 0.275 203 P C 0.786 177.641 177.300 -0.741 0.000 1.310 203 P CA 0.299 62.819 63.100 -0.968 0.000 0.904 203 P CB 0.237 30.832 31.700 -1.842 0.000 1.381 204 T N -4.136 109.966 114.554 -0.752 0.000 2.985 204 T HA 0.139 4.522 4.350 0.055 0.000 0.266 204 T C 1.755 176.432 174.700 -0.038 0.000 1.076 204 T CA 1.275 63.060 62.100 -0.524 0.000 1.135 204 T CB -1.391 67.199 68.868 -0.464 0.000 0.890 204 T HN 0.175 nan 8.240 nan 0.000 0.480 205 G N 1.488 110.257 108.800 -0.051 0.000 2.168 205 G HA2 -0.287 3.706 3.960 0.055 0.000 0.263 205 G HA3 -0.287 3.706 3.960 0.055 0.000 0.263 205 G C -0.093 174.838 174.900 0.052 0.000 0.977 205 G CA 0.197 45.321 45.100 0.039 0.000 0.659 205 G HN 0.728 nan 8.290 nan 0.000 0.533 206 N N 0.322 119.029 118.700 0.011 0.000 2.525 206 N HA 0.558 5.331 4.740 0.055 0.000 0.271 206 N C -0.129 175.370 175.510 -0.019 0.000 1.194 206 N CA 0.443 53.497 53.050 0.007 0.000 0.964 206 N CB 0.849 39.331 38.487 -0.009 0.000 1.126 206 N HN 0.214 nan 8.380 nan 0.000 0.452 207 S N 0.872 116.565 115.700 -0.011 0.000 2.526 207 S HA 0.373 4.876 4.470 0.055 0.000 0.293 207 S C -0.175 174.422 174.600 -0.006 0.000 1.092 207 S CA -0.801 57.392 58.200 -0.011 0.000 0.980 207 S CB 1.184 64.371 63.200 -0.022 0.000 1.048 207 S HN 0.311 nan 8.310 nan 0.000 0.483 208 L N 2.459 123.685 121.223 0.005 0.000 2.492 208 L HA 0.146 4.519 4.340 0.055 0.000 0.280 208 L C 1.109 177.966 176.870 -0.023 0.000 1.240 208 L CA 0.143 54.983 54.840 0.001 0.000 0.831 208 L CB 0.312 42.378 42.059 0.011 0.000 1.100 208 L HN 0.809 nan 8.230 nan 0.000 0.505 209 T N -1.994 112.544 114.554 -0.028 0.000 2.944 209 T HA 0.127 4.510 4.350 0.055 0.000 0.284 209 T C 0.936 175.596 174.700 -0.067 0.000 1.010 209 T CA -0.342 61.736 62.100 -0.036 0.000 1.025 209 T CB 1.674 70.528 68.868 -0.023 0.000 1.079 209 T HN 0.553 nan 8.240 nan 0.000 0.516 210 S N 0.092 115.751 115.700 -0.068 0.000 2.383 210 S HA -0.167 4.336 4.470 0.055 0.000 0.229 210 S C 1.714 176.266 174.600 -0.080 0.000 1.030 210 S CA 1.784 59.929 58.200 -0.091 0.000 1.002 210 S CB -0.665 62.494 63.200 -0.069 0.000 0.829 210 S HN 0.792 nan 8.310 nan 0.000 0.467 211 E N 0.809 120.980 120.200 -0.049 0.000 2.051 211 E HA -0.033 4.350 4.350 0.055 0.000 0.192 211 E C 2.463 179.053 176.600 -0.016 0.000 0.991 211 E CA 1.059 57.443 56.400 -0.028 0.000 0.799 211 E CB -0.134 29.558 29.700 -0.013 0.000 0.748 211 E HN 0.443 nan 8.360 nan 0.000 0.449 212 R N 0.678 121.169 120.500 -0.016 0.000 2.081 212 R HA -0.073 4.300 4.340 0.055 0.000 0.235 212 R C 2.214 178.516 176.300 0.003 0.000 1.131 212 R CA 1.255 57.363 56.100 0.012 0.000 0.960 212 R CB -0.203 30.110 30.300 0.021 0.000 0.856 212 R HN 0.096 nan 8.270 nan 0.000 0.436 213 K N 0.929 121.258 120.400 -0.117 0.000 2.026 213 K HA -0.152 4.201 4.320 0.055 0.000 0.208 213 K C 2.067 178.593 176.600 -0.123 0.000 1.048 213 K CA 1.443 57.537 56.287 -0.323 0.000 0.929 213 K CB -0.077 32.029 32.500 -0.657 0.000 0.713 213 K HN 0.097 nan 8.250 nan 0.000 0.439 214 K N 1.135 121.488 120.400 -0.077 0.000 2.015 214 K HA -0.263 4.090 4.320 0.055 0.000 0.220 214 K C 2.118 178.792 176.600 0.124 0.000 1.055 214 K CA 2.162 58.463 56.287 0.023 0.000 0.951 214 K CB -0.219 32.280 32.500 -0.001 0.000 0.725 214 K HN 0.204 nan 8.250 nan 0.000 0.449 215 E N 0.542 120.801 120.200 0.098 0.000 2.070 215 E HA -0.218 4.165 4.350 0.055 0.000 0.197 215 E C 2.076 178.784 176.600 0.180 0.000 1.004 215 E CA 1.529 58.003 56.400 0.124 0.000 0.805 215 E CB -0.180 29.580 29.700 0.100 0.000 0.744 215 E HN 0.297 nan 8.360 nan 0.000 0.451 216 I N -0.012 120.696 120.570 0.230 0.000 2.163 216 I HA -0.311 3.892 4.170 0.055 0.000 0.243 216 I C 2.258 178.564 176.117 0.314 0.000 1.085 216 I CA 1.204 62.701 61.300 0.327 0.000 1.347 216 I CB -0.377 37.910 38.000 0.480 0.000 1.044 216 I HN 0.177 nan 8.210 nan 0.000 0.408 217 Y N 1.639 122.089 120.300 0.251 0.000 2.081 217 Y HA -0.361 4.222 4.550 0.054 0.000 0.280 217 Y C 2.654 178.583 175.900 0.048 0.000 1.163 217 Y CA 2.283 60.475 58.100 0.154 0.000 1.135 217 Y CB -0.341 38.203 38.460 0.139 0.000 0.970 217 Y HN 0.150 nan 8.280 nan 0.000 0.498 218 E N -0.532 119.763 120.200 0.157 0.000 2.065 218 E HA -0.265 4.117 4.350 0.055 0.000 0.201 218 E C 2.125 178.724 176.600 -0.001 0.000 1.016 218 E CA 1.671 58.113 56.400 0.069 0.000 0.818 218 E CB -0.300 29.459 29.700 0.098 0.000 0.749 218 E HN 0.324 nan 8.360 nan 0.000 0.453 219 L N 0.254 121.521 121.223 0.074 0.000 2.012 219 L HA -0.198 4.175 4.340 0.055 0.000 0.210 219 L C 2.546 179.404 176.870 -0.020 0.000 1.073 219 L CA 1.934 56.885 54.840 0.185 0.000 0.748 219 L CB -1.622 40.619 42.059 0.303 0.000 0.891 219 L HN 0.236 nan 8.230 nan 0.000 0.431 220 A N -0.357 122.199 122.820 -0.441 0.000 1.908 220 A HA -0.253 4.099 4.320 0.055 0.000 0.218 220 A C 2.509 179.631 177.584 -0.770 0.000 1.181 220 A CA 1.766 53.026 52.037 -1.294 0.000 0.627 220 A CB -0.570 17.736 19.000 -1.156 0.000 0.818 220 A HN 0.379 nan 8.150 nan 0.000 0.445 221 R N -0.168 120.010 120.500 -0.538 0.000 2.088 221 R HA -0.219 4.154 4.340 0.055 0.000 0.232 221 R C 2.267 178.428 176.300 -0.231 0.000 1.136 221 R CA 2.171 58.069 56.100 -0.338 0.000 0.926 221 R CB -0.386 29.778 30.300 -0.225 0.000 0.837 221 R HN 0.472 nan 8.270 nan 0.000 0.429 222 K N -0.941 119.337 120.400 -0.202 0.000 2.089 222 K HA -0.216 4.137 4.320 0.055 0.000 0.210 222 K C 1.190 177.538 176.600 -0.420 0.000 1.048 222 K CA 2.096 58.199 56.287 -0.306 0.000 0.926 222 K CB -0.094 32.206 32.500 -0.333 0.000 0.714 222 K HN 0.325 nan 8.250 nan 0.000 0.448 223 Y N -0.364 119.887 120.300 -0.080 0.000 2.481 223 Y HA 0.143 4.726 4.550 0.055 0.000 0.247 223 Y C -0.287 175.607 175.900 -0.010 0.000 1.151 223 Y CA -0.322 57.784 58.100 0.010 0.000 1.238 223 Y CB 0.626 39.204 38.460 0.196 0.000 1.179 223 Y HN 0.100 nan 8.280 nan 0.000 0.524 224 D N 1.026 121.409 120.400 -0.029 0.000 2.737 224 D HA -0.226 4.447 4.640 0.055 0.000 0.238 224 D C -0.990 175.456 176.300 0.242 0.000 1.157 224 D CA 0.755 54.772 54.000 0.029 0.000 0.694 224 D CB -1.262 39.566 40.800 0.047 0.000 1.021 224 D HN 0.310 nan 8.370 nan 0.000 0.420 225 F N -1.438 118.604 119.950 0.153 0.000 2.561 225 F HA 0.669 5.229 4.527 0.054 0.000 0.321 225 F C -0.110 175.720 175.800 0.049 0.000 1.065 225 F CA -1.593 56.526 58.000 0.199 0.000 0.934 225 F CB 0.790 39.850 39.000 0.099 0.000 1.215 225 F HN -0.130 nan 8.300 nan 0.000 0.471 226 L N 2.888 124.267 121.223 0.259 0.000 2.439 226 L HA 0.314 4.687 4.340 0.055 0.000 0.269 226 L C -0.163 176.836 176.870 0.215 0.000 1.179 226 L CA -0.286 54.565 54.840 0.019 0.000 0.828 226 L CB 0.688 42.681 42.059 -0.110 0.000 1.106 226 L HN 0.595 nan 8.230 nan 0.000 0.467 227 I N 3.765 124.343 120.570 0.012 0.000 2.355 227 I HA 0.322 4.525 4.170 0.055 0.000 0.288 227 I C -0.321 175.727 176.117 -0.116 0.000 0.999 227 I CA -0.341 60.921 61.300 -0.062 0.000 1.163 227 I CB 1.418 39.227 38.000 -0.318 0.000 1.316 227 I HN 0.394 nan 8.210 nan 0.000 0.454 228 I N 5.753 126.284 120.570 -0.066 0.000 2.291 228 I HA 0.201 4.404 4.170 0.055 0.000 0.290 228 I C 0.384 176.392 176.117 -0.182 0.000 1.050 228 I CA -0.333 60.909 61.300 -0.096 0.000 1.245 228 I CB 0.848 38.850 38.000 0.003 0.000 1.405 228 I HN 0.647 nan 8.210 nan 0.000 0.478 229 E N 5.888 125.961 120.200 -0.213 0.000 1.996 229 E HA 0.056 4.439 4.350 0.055 0.000 0.280 229 E C -0.742 175.752 176.600 -0.177 0.000 1.092 229 E CA -0.588 55.695 56.400 -0.195 0.000 0.862 229 E CB 0.622 30.264 29.700 -0.097 0.000 1.066 229 E HN 0.428 nan 8.360 nan 0.000 0.396 230 D N 4.173 124.438 120.400 -0.225 0.000 2.393 230 D HA 0.083 4.756 4.640 0.055 0.000 0.232 230 D C -0.993 175.228 176.300 -0.132 0.000 1.192 230 D CA -0.229 53.678 54.000 -0.154 0.000 0.882 230 D CB 0.766 41.504 40.800 -0.104 0.000 1.038 230 D HN 0.316 nan 8.370 nan 0.000 0.499 231 D N 4.468 124.777 120.400 -0.152 0.000 2.943 231 D HA 0.160 4.832 4.640 0.055 0.000 0.347 231 D C -1.754 174.453 176.300 -0.156 0.000 1.305 231 D CA -1.490 52.439 54.000 -0.118 0.000 0.870 231 D CB 1.167 41.888 40.800 -0.133 0.000 1.081 231 D HN 0.294 nan 8.370 nan 0.000 0.492 232 P HA -0.081 nan 4.420 nan 0.000 0.229 232 P C 0.595 177.659 177.300 -0.394 0.000 1.160 232 P CA 0.512 63.393 63.100 -0.365 0.000 0.777 232 P CB 0.069 31.424 31.700 -0.577 0.000 0.814 233 Y N -2.583 117.678 120.300 -0.064 0.000 2.607 233 Y HA 0.161 4.744 4.550 0.056 0.000 0.266 233 Y C 2.124 177.955 175.900 -0.115 0.000 1.178 233 Y CA -0.713 57.324 58.100 -0.104 0.000 1.226 233 Y CB -0.537 37.830 38.460 -0.156 0.000 1.144 233 Y HN -0.153 nan 8.280 nan 0.000 0.528 234 Y N -0.184 120.021 120.300 -0.158 0.000 2.224 234 Y HA -0.238 4.345 4.550 0.055 0.000 0.289 234 Y C 0.929 176.623 175.900 -0.343 0.000 1.146 234 Y CA 1.596 59.502 58.100 -0.322 0.000 1.182 234 Y CB -0.308 37.828 38.460 -0.539 0.000 0.983 234 Y HN 0.125 nan 8.280 nan 0.000 0.524 235 F N -1.031 118.928 119.950 0.016 0.000 2.692 235 F HA 0.191 4.751 4.527 0.055 0.000 0.303 235 F C 0.604 176.343 175.800 -0.101 0.000 1.114 235 F CA 0.016 57.976 58.000 -0.067 0.000 1.361 235 F CB 0.063 39.131 39.000 0.113 0.000 1.063 235 F HN -0.033 nan 8.300 nan 0.000 0.550 236 L N 0.514 121.727 121.223 -0.016 0.000 3.062 236 L HA 0.292 4.665 4.340 0.055 0.000 0.255 236 L C 0.048 176.681 176.870 -0.395 0.000 1.274 236 L CA 0.225 54.995 54.840 -0.118 0.000 1.047 236 L CB -0.319 41.670 42.059 -0.116 0.000 1.402 236 L HN 0.015 nan 8.230 nan 0.000 0.550 237 Q N -0.954 118.645 119.800 -0.336 0.000 2.322 237 Q HA 0.231 4.604 4.340 0.055 0.000 0.256 237 Q C 0.618 176.475 176.000 -0.239 0.000 0.960 237 Q CA -0.190 55.368 55.803 -0.408 0.000 0.934 237 Q CB 0.869 29.426 28.738 -0.300 0.000 1.200 237 Q HN 0.360 nan 8.270 nan 0.000 0.435 238 F N 0.224 120.172 119.950 -0.004 0.000 2.216 238 F HA -0.140 4.420 4.527 0.055 0.000 0.300 238 F C 1.357 177.146 175.800 -0.019 0.000 1.085 238 F CA -0.009 57.991 58.000 -0.000 0.000 1.326 238 F CB 0.093 39.101 39.000 0.013 0.000 1.027 238 F HN 0.493 nan 8.300 nan 0.000 0.497 239 N N 1.624 120.404 118.700 0.134 0.000 2.483 239 N HA -0.034 4.739 4.740 0.055 0.000 0.264 239 N C 0.879 176.380 175.510 -0.015 0.000 1.197 239 N CA 0.152 53.247 53.050 0.075 0.000 0.927 239 N CB 0.802 39.344 38.487 0.092 0.000 1.065 239 N HN -0.090 nan 8.380 nan 0.000 0.461 240 K N 2.467 122.802 120.400 -0.107 0.000 2.288 240 K HA 0.034 4.387 4.320 0.055 0.000 0.201 240 K C -0.089 176.232 176.600 -0.464 0.000 1.048 240 K CA 0.577 56.685 56.287 -0.298 0.000 0.956 240 K CB -0.121 32.145 32.500 -0.390 0.000 0.746 240 K HN 0.455 nan 8.250 nan 0.000 0.461 241 F N 1.395 121.338 119.950 -0.012 0.000 2.404 241 F HA 0.290 4.849 4.527 0.055 0.000 0.345 241 F C 0.844 176.622 175.800 -0.037 0.000 1.110 241 F CA -0.745 57.245 58.000 -0.016 0.000 1.130 241 F CB 0.830 39.825 39.000 -0.008 0.000 1.129 241 F HN -0.388 nan 8.300 nan 0.000 0.500 242 R N 2.220 122.786 120.500 0.110 0.000 2.254 242 R HA 0.403 4.776 4.340 0.055 0.000 0.318 242 R C -0.826 175.522 176.300 0.080 0.000 1.031 242 R CA -0.779 55.319 56.100 -0.003 0.000 0.905 242 R CB 1.362 31.586 30.300 -0.127 0.000 1.050 242 R HN 0.418 nan 8.270 nan 0.000 0.456 243 V N 6.328 126.271 119.914 0.048 0.000 2.617 243 V HA -0.006 4.146 4.120 0.055 0.000 0.304 243 V C -1.783 174.366 176.094 0.091 0.000 1.040 243 V CA -0.871 61.458 62.300 0.048 0.000 1.149 243 V CB 0.344 32.173 31.823 0.009 0.000 0.914 243 V HN 0.638 nan 8.190 nan 0.000 0.487 244 P HA 0.132 nan 4.420 nan 0.000 0.267 244 P C 0.047 177.329 177.300 -0.029 0.000 1.200 244 P CA 0.055 63.181 63.100 0.043 0.000 0.772 244 P CB 0.254 31.942 31.700 -0.021 0.000 0.855 245 T N -1.213 113.324 114.554 -0.029 0.000 2.902 245 T HA 0.318 4.701 4.350 0.055 0.000 0.280 245 T C 0.844 175.441 174.700 -0.171 0.000 0.992 245 T CA -0.394 61.624 62.100 -0.136 0.000 1.015 245 T CB 0.254 68.907 68.868 -0.357 0.000 1.044 245 T HN 0.103 nan 8.240 nan 0.000 0.520 246 F N -0.169 119.700 119.950 -0.135 0.000 2.333 246 F HA 0.069 4.629 4.527 0.055 0.000 0.300 246 F C 2.071 177.775 175.800 -0.159 0.000 1.083 246 F CA 0.509 58.453 58.000 -0.092 0.000 1.395 246 F CB -0.327 38.673 39.000 0.000 0.000 1.056 246 F HN 0.423 nan 8.300 nan 0.000 0.529 247 L N -0.134 121.055 121.223 -0.057 0.000 2.179 247 L HA -0.101 4.272 4.340 0.055 0.000 0.208 247 L C 2.460 179.242 176.870 -0.146 0.000 1.096 247 L CA 1.589 56.347 54.840 -0.136 0.000 0.779 247 L CB -0.707 41.191 42.059 -0.268 0.000 0.922 247 L HN 0.095 nan 8.230 nan 0.000 0.443 248 S N -0.269 115.341 115.700 -0.150 0.000 2.547 248 S HA -0.133 4.369 4.470 0.055 0.000 0.235 248 S C 1.390 175.903 174.600 -0.146 0.000 0.980 248 S CA 0.917 59.067 58.200 -0.084 0.000 0.941 248 S CB -0.605 62.592 63.200 -0.006 0.000 0.763 248 S HN 0.664 nan 8.310 nan 0.000 0.532 249 M N -0.672 118.788 119.600 -0.234 0.000 2.504 249 M HA 0.468 4.981 4.480 0.055 0.000 0.370 249 M C -0.517 175.397 176.300 -0.644 0.000 1.110 249 M CA -0.412 54.651 55.300 -0.395 0.000 0.938 249 M CB 0.172 32.499 32.600 -0.455 0.000 1.460 249 M HN -0.120 nan 8.290 nan 0.000 0.535 250 D N 2.822 123.032 120.400 -0.317 0.000 2.551 250 D HA 0.165 4.838 4.640 0.055 0.000 0.223 250 D C 1.397 177.710 176.300 0.022 0.000 1.144 250 D CA -0.063 53.890 54.000 -0.078 0.000 1.025 250 D CB 0.936 41.772 40.800 0.061 0.000 1.085 250 D HN 0.324 nan 8.370 nan 0.000 0.506 251 V N -0.043 119.901 119.914 0.049 0.000 2.809 251 V HA -0.045 4.108 4.120 0.055 0.000 0.256 251 V C 1.129 177.404 176.094 0.301 0.000 1.080 251 V CA 1.076 63.470 62.300 0.158 0.000 1.102 251 V CB -0.089 31.812 31.823 0.131 0.000 0.705 251 V HN 0.141 nan 8.190 nan 0.000 0.475 252 D N 1.216 121.812 120.400 0.327 0.000 2.327 252 D HA 0.246 4.919 4.640 0.055 0.000 0.205 252 D C 1.706 178.164 176.300 0.264 0.000 0.989 252 D CA 1.263 55.418 54.000 0.258 0.000 0.873 252 D CB 0.270 41.168 40.800 0.162 0.000 0.955 252 D HN 0.756 nan 8.370 nan 0.000 0.515 253 G N 1.940 110.906 108.800 0.277 0.000 2.325 253 G HA2 -0.285 3.708 3.960 0.055 0.000 0.248 253 G HA3 -0.285 3.708 3.960 0.055 0.000 0.248 253 G C 0.606 175.644 174.900 0.230 0.000 1.108 253 G CA 0.275 45.546 45.100 0.285 0.000 0.881 253 G HN 0.480 nan 8.290 nan 0.000 0.494 254 R N -1.643 118.937 120.500 0.133 0.000 2.549 254 R HA 0.525 4.898 4.340 0.055 0.000 0.344 254 R C -0.038 176.254 176.300 -0.014 0.000 0.979 254 R CA -0.195 55.903 56.100 -0.003 0.000 1.140 254 R CB 0.708 30.933 30.300 -0.125 0.000 1.377 254 R HN 0.300 nan 8.270 nan 0.000 0.541 255 V N 2.513 122.456 119.914 0.050 0.000 2.435 255 V HA 0.438 4.591 4.120 0.055 0.000 0.290 255 V C -0.100 175.965 176.094 -0.049 0.000 1.030 255 V CA -0.631 61.675 62.300 0.011 0.000 0.881 255 V CB 1.837 33.709 31.823 0.080 0.000 0.983 255 V HN 0.208 nan 8.190 nan 0.000 0.445 256 I N 5.258 125.772 120.570 -0.094 0.000 2.410 256 I HA 0.523 4.726 4.170 0.055 0.000 0.286 256 I C -0.025 176.010 176.117 -0.137 0.000 1.009 256 I CA -0.493 60.736 61.300 -0.119 0.000 1.111 256 I CB 1.544 39.457 38.000 -0.144 0.000 1.262 256 I HN 0.566 nan 8.210 nan 0.000 0.443 257 R N 5.244 125.658 120.500 -0.143 0.000 2.393 257 R HA 0.791 5.164 4.340 0.055 0.000 0.310 257 R C -0.887 175.291 176.300 -0.204 0.000 0.968 257 R CA -0.355 55.637 56.100 -0.180 0.000 0.867 257 R CB 1.623 31.798 30.300 -0.209 0.000 1.124 257 R HN 0.741 nan 8.270 nan 0.000 0.450 258 A N 3.888 126.571 122.820 -0.227 0.000 2.317 258 A HA 0.455 4.808 4.320 0.055 0.000 0.327 258 A C -1.137 176.217 177.584 -0.384 0.000 1.178 258 A CA -0.663 51.211 52.037 -0.272 0.000 0.817 258 A CB 1.115 19.992 19.000 -0.205 0.000 1.189 258 A HN 0.799 nan 8.150 nan 0.000 0.489 259 D N 0.340 120.381 120.400 -0.599 0.000 2.671 259 D HA 0.605 5.278 4.640 0.055 0.000 0.232 259 D C -1.181 174.641 176.300 -0.797 0.000 1.114 259 D CA 0.002 53.492 54.000 -0.849 0.000 0.858 259 D CB 2.296 42.050 40.800 -1.744 0.000 1.544 259 D HN 0.413 nan 8.370 nan 0.000 0.471 260 S N 0.840 116.239 115.700 -0.502 0.000 2.547 260 S HA 0.427 4.930 4.470 0.055 0.000 0.281 260 S C -0.607 173.976 174.600 -0.029 0.000 1.118 260 S CA -0.500 57.548 58.200 -0.254 0.000 0.947 260 S CB 0.532 63.623 63.200 -0.181 0.000 1.053 260 S HN 0.263 nan 8.310 nan 0.000 0.482 261 F N 1.896 121.966 119.950 0.201 0.000 2.664 261 F HA 0.394 4.953 4.527 0.054 0.000 0.303 261 F C 1.540 177.429 175.800 0.149 0.000 1.092 261 F CA -0.365 57.779 58.000 0.240 0.000 1.305 261 F CB -0.218 38.925 39.000 0.238 0.000 1.054 261 F HN 0.365 nan 8.300 nan 0.000 0.565 265 I N 0.868 121.611 120.570 0.288 0.000 2.900 265 I HA 0.288 4.491 4.170 0.055 0.000 0.251 265 I C 0.740 176.919 176.117 0.104 0.000 1.102 265 I CA 0.808 62.196 61.300 0.145 0.000 1.457 265 I CB 0.844 38.835 38.000 -0.015 0.000 1.285 265 I HN 0.325 nan 8.210 nan 0.000 0.459 266 S N -0.477 115.306 115.700 0.139 0.000 2.583 266 S HA 0.154 4.657 4.470 0.055 0.000 0.294 266 S C 0.386 175.059 174.600 0.122 0.000 1.121 266 S CA -0.112 58.150 58.200 0.104 0.000 0.910 266 S CB 1.258 64.490 63.200 0.055 0.000 1.102 266 S HN 0.288 nan 8.310 nan 0.000 0.451 267 S N 3.160 118.919 115.700 0.099 0.000 2.458 267 S HA 0.179 4.681 4.470 0.055 0.000 0.223 267 S C 1.756 176.397 174.600 0.068 0.000 1.019 267 S CA 0.878 59.129 58.200 0.085 0.000 0.937 267 S CB -0.419 62.829 63.200 0.079 0.000 0.788 267 S HN 1.045 nan 8.310 nan 0.000 0.511 268 G N 1.502 110.337 108.800 0.058 0.000 2.539 268 G HA2 0.207 4.199 3.960 0.055 0.000 0.215 268 G HA3 0.207 4.199 3.960 0.055 0.000 0.215 268 G C 1.315 176.236 174.900 0.035 0.000 1.141 268 G CA 0.118 45.241 45.100 0.039 0.000 0.806 268 G HN 0.482 nan 8.290 nan 0.000 0.533 269 L N -0.331 120.920 121.223 0.047 0.000 2.478 269 L HA 0.139 4.512 4.340 0.055 0.000 0.223 269 L C 0.549 177.456 176.870 0.062 0.000 1.140 269 L CA -0.241 54.629 54.840 0.051 0.000 0.842 269 L CB -0.136 41.956 42.059 0.057 0.000 0.953 269 L HN 0.052 nan 8.230 nan 0.000 0.452 270 R N 1.353 121.893 120.500 0.067 0.000 2.877 270 R HA -0.127 4.246 4.340 0.055 0.000 0.275 270 R C -0.977 175.377 176.300 0.090 0.000 0.924 270 R CA 0.703 56.842 56.100 0.066 0.000 0.715 270 R CB -2.145 28.178 30.300 0.038 0.000 1.761 270 R HN 0.253 nan 8.270 nan 0.000 0.498 271 I N 0.154 120.804 120.570 0.135 0.000 2.599 271 I HA 0.449 4.652 4.170 0.055 0.000 0.285 271 I C 0.810 177.080 176.117 0.255 0.000 1.168 271 I CA -0.243 61.169 61.300 0.188 0.000 1.060 271 I CB 2.185 40.310 38.000 0.209 0.000 1.249 271 I HN 0.484 nan 8.210 nan 0.000 0.442 272 G N 5.457 114.366 108.800 0.182 0.000 2.921 272 G HA2 0.881 4.874 3.960 0.055 0.000 0.291 272 G HA3 0.881 4.874 3.960 0.055 0.000 0.291 272 G C -1.728 173.297 174.900 0.209 0.000 1.370 272 G CA -0.555 44.612 45.100 0.112 0.000 0.847 272 G HN 0.440 nan 8.290 nan 0.000 0.532 273 F N -1.940 117.925 119.950 -0.142 0.000 2.641 273 F HA 0.809 5.369 4.527 0.054 0.000 0.308 273 F C -1.801 173.941 175.800 -0.097 0.000 1.105 273 F CA -1.519 56.420 58.000 -0.101 0.000 0.964 273 F CB 1.972 40.919 39.000 -0.087 0.000 1.294 273 F HN 0.478 nan 8.300 nan 0.000 0.442 274 L N 2.477 123.746 121.223 0.077 0.000 2.372 274 L HA 0.672 5.045 4.340 0.055 0.000 0.274 274 L C -0.502 176.377 176.870 0.016 0.000 0.988 274 L CA -0.010 54.808 54.840 -0.037 0.000 0.833 274 L CB 1.723 43.746 42.059 -0.060 0.000 1.236 274 L HN 0.994 nan 8.230 nan 0.000 0.410 275 T N 3.060 117.604 114.554 -0.018 0.000 2.895 275 T HA 0.934 5.317 4.350 0.055 0.000 0.283 275 T C -0.276 174.389 174.700 -0.058 0.000 1.014 275 T CA 0.168 62.264 62.100 -0.006 0.000 1.037 275 T CB 1.174 70.066 68.868 0.039 0.000 1.006 275 T HN 0.987 nan 8.240 nan 0.000 0.468 276 G N 3.657 112.425 108.800 -0.054 0.000 2.316 276 G HA2 0.413 4.405 3.960 0.055 0.000 0.296 276 G HA3 0.413 4.405 3.960 0.055 0.000 0.296 276 G C -3.452 171.398 174.900 -0.083 0.000 1.399 276 G CA -0.959 44.097 45.100 -0.072 0.000 0.833 276 G HN 0.577 nan 8.290 nan 0.000 0.565 277 P HA 0.153 nan 4.420 nan 0.000 0.264 277 P C 0.870 178.035 177.300 -0.224 0.000 1.193 277 P CA 0.040 63.033 63.100 -0.179 0.000 0.763 277 P CB 1.106 32.590 31.700 -0.361 0.000 0.810 278 K N 6.076 126.384 120.400 -0.153 0.000 2.052 278 K HA -0.205 4.147 4.320 0.055 0.000 0.215 278 K C -0.867 175.642 176.600 -0.150 0.000 1.053 278 K CA 2.388 58.607 56.287 -0.113 0.000 0.934 278 K CB -1.327 31.141 32.500 -0.052 0.000 0.717 278 K HN 0.411 nan 8.250 nan 0.000 0.450 279 P HA -0.134 nan 4.420 nan 0.000 0.218 279 P C 1.007 178.198 177.300 -0.183 0.000 1.149 279 P CA 1.087 64.069 63.100 -0.196 0.000 0.817 279 P CB 0.072 31.612 31.700 -0.266 0.000 0.785 280 L N -1.266 119.787 121.223 -0.284 0.000 2.044 280 L HA -0.095 4.278 4.340 0.055 0.000 0.205 280 L C 2.317 179.125 176.870 -0.103 0.000 1.075 280 L CA 1.220 55.956 54.840 -0.175 0.000 0.747 280 L CB -0.848 41.082 42.059 -0.216 0.000 0.903 280 L HN -0.051 nan 8.230 nan 0.000 0.435 281 I N 0.171 120.677 120.570 -0.107 0.000 2.286 281 I HA -0.284 3.919 4.170 0.055 0.000 0.248 281 I C 2.496 178.591 176.117 -0.037 0.000 1.115 281 I CA 1.369 62.631 61.300 -0.064 0.000 1.392 281 I CB -0.758 37.208 38.000 -0.057 0.000 1.065 281 I HN 0.448 nan 8.210 nan 0.000 0.418 282 E N 0.992 121.166 120.200 -0.043 0.000 2.058 282 E HA -0.257 4.126 4.350 0.055 0.000 0.194 282 E C 2.198 178.797 176.600 -0.002 0.000 0.997 282 E CA 1.299 57.687 56.400 -0.020 0.000 0.801 282 E CB 0.114 29.799 29.700 -0.026 0.000 0.746 282 E HN 0.257 nan 8.360 nan 0.000 0.450 283 R N 0.049 120.547 120.500 -0.003 0.000 2.159 283 R HA -0.092 4.281 4.340 0.055 0.000 0.237 283 R C 2.243 178.569 176.300 0.044 0.000 1.131 283 R CA 0.599 56.710 56.100 0.018 0.000 0.982 283 R CB -1.049 29.263 30.300 0.021 0.000 0.868 283 R HN 0.200 nan 8.270 nan 0.000 0.453 284 V N 0.716 120.646 119.914 0.027 0.000 2.535 284 V HA -0.065 4.088 4.120 0.055 0.000 0.246 284 V C 2.256 178.377 176.094 0.046 0.000 1.045 284 V CA 1.070 63.393 62.300 0.039 0.000 1.058 284 V CB -0.275 31.542 31.823 -0.010 0.000 0.689 284 V HN 0.133 nan 8.190 nan 0.000 0.461 285 I N -0.253 120.336 120.570 0.030 0.000 2.315 285 I HA -0.217 3.986 4.170 0.055 0.000 0.248 285 I C 2.243 178.390 176.117 0.050 0.000 1.117 285 I CA 1.499 62.818 61.300 0.033 0.000 1.404 285 I CB -0.235 37.779 38.000 0.022 0.000 1.071 285 I HN 0.261 nan 8.210 nan 0.000 0.419 286 L N -0.365 120.892 121.223 0.056 0.000 2.141 286 L HA -0.231 4.142 4.340 0.055 0.000 0.209 286 L C 2.621 179.559 176.870 0.112 0.000 1.094 286 L CA 1.373 56.251 54.840 0.062 0.000 0.763 286 L CB -0.848 41.235 42.059 0.041 0.000 0.908 286 L HN 0.371 nan 8.230 nan 0.000 0.437 287 H N 0.280 119.352 119.070 0.003 0.000 2.395 287 H HA -0.107 4.481 4.556 0.054 0.000 0.299 287 H C 2.439 177.771 175.328 0.006 0.000 1.070 287 H CA 1.058 57.109 56.048 0.004 0.000 1.356 287 H CB 0.280 30.042 29.762 -0.000 0.000 1.401 287 H HN 0.220 nan 8.280 nan 0.000 0.524 288 I N 1.021 121.614 120.570 0.038 0.000 2.335 288 I HA -0.298 3.905 4.170 0.055 0.000 0.251 288 I C 2.114 178.245 176.117 0.025 0.000 1.129 288 I CA 1.275 62.561 61.300 -0.023 0.000 1.402 288 I CB -0.163 37.835 38.000 -0.003 0.000 1.069 288 I HN 0.448 nan 8.210 nan 0.000 0.424 289 Q N -0.273 119.561 119.800 0.056 0.000 2.436 289 Q HA -0.083 4.289 4.340 0.055 0.000 0.209 289 Q C 1.837 177.865 176.000 0.046 0.000 0.965 289 Q CA 1.309 57.142 55.803 0.051 0.000 0.910 289 Q CB 0.267 29.031 28.738 0.043 0.000 0.980 289 Q HN 0.639 nan 8.270 nan 0.000 0.491 290 V N -4.245 115.709 119.914 0.066 0.000 3.502 290 V HA 0.161 4.313 4.120 0.055 0.000 0.288 290 V C 1.445 177.576 176.094 0.063 0.000 1.461 290 V CA 0.534 62.873 62.300 0.064 0.000 1.029 290 V CB 0.584 32.455 31.823 0.079 0.000 0.843 290 V HN 0.170 nan 8.190 nan 0.000 0.438 291 S N 2.299 118.025 115.700 0.042 0.000 2.500 291 S HA -0.015 4.488 4.470 0.055 0.000 0.174 291 S C 1.769 176.358 174.600 -0.017 0.000 0.857 291 S CA 1.209 59.406 58.200 -0.006 0.000 0.905 291 S CB -0.842 62.301 63.200 -0.096 0.000 0.819 291 S HN 0.670 nan 8.310 nan 0.000 0.557 292 T N 0.163 114.693 114.554 -0.040 0.000 3.081 292 T HA 0.417 4.800 4.350 0.055 0.000 0.250 292 T C 1.310 175.978 174.700 -0.053 0.000 1.100 292 T CA 0.443 62.513 62.100 -0.051 0.000 1.038 292 T CB -0.650 68.178 68.868 -0.066 0.000 0.962 292 T HN 0.430 nan 8.240 nan 0.000 0.516 293 L N 0.132 121.360 121.223 0.009 0.000 3.449 293 L HA -0.303 4.070 4.340 0.055 0.000 0.077 293 L C 0.833 177.808 176.870 0.176 0.000 4.433 293 L CA 2.346 57.241 54.840 0.092 0.000 0.491 293 L CB -1.885 40.269 42.059 0.160 0.000 3.547 293 L HN 0.825 nan 8.230 nan 0.000 0.760 294 H N -2.257 116.856 119.070 0.071 0.000 2.918 294 H HA 0.534 5.121 4.556 0.052 0.000 0.303 294 H C -3.067 172.293 175.328 0.054 0.000 1.380 294 H CA -1.659 54.425 56.048 0.059 0.000 1.134 294 H CB 1.137 30.943 29.762 0.074 0.000 1.842 294 H HN -0.096 nan 8.280 nan 0.000 0.533 295 P HA 0.032 nan 4.420 nan 0.000 0.275 295 P C 0.071 177.471 177.300 0.167 0.000 1.228 295 P CA -0.184 62.980 63.100 0.107 0.000 0.786 295 P CB 0.557 32.336 31.700 0.131 0.000 0.927 296 S N 1.588 117.334 115.700 0.077 0.000 2.931 296 S HA -0.079 4.424 4.470 0.055 0.000 0.342 296 S C 1.242 175.972 174.600 0.217 0.000 1.220 296 S CA 0.543 58.813 58.200 0.116 0.000 1.045 296 S CB -0.590 62.662 63.200 0.086 0.000 0.758 296 S HN 0.461 nan 8.310 nan 0.000 0.508 297 T N 6.701 121.420 114.554 0.275 0.000 2.674 297 T HA -0.134 4.249 4.350 0.055 0.000 0.265 297 T C 1.262 176.049 174.700 0.146 0.000 1.039 297 T CA 1.685 63.891 62.100 0.177 0.000 1.150 297 T CB -0.649 68.296 68.868 0.127 0.000 0.864 297 T HN 0.739 nan 8.240 nan 0.000 0.427 298 F N 2.430 122.417 119.950 0.062 0.000 2.082 298 F HA -0.297 4.263 4.527 0.056 0.000 0.298 298 F C 2.023 177.896 175.800 0.122 0.000 1.091 298 F CA 1.852 59.923 58.000 0.118 0.000 1.230 298 F CB -0.514 38.523 39.000 0.062 0.000 0.983 298 F HN 0.225 nan 8.300 nan 0.000 0.485 299 N N -1.050 117.820 118.700 0.284 0.000 2.250 299 N HA -0.145 4.628 4.740 0.055 0.000 0.181 299 N C 1.723 177.258 175.510 0.042 0.000 1.017 299 N CA 0.821 53.968 53.050 0.162 0.000 0.866 299 N CB -0.172 38.407 38.487 0.152 0.000 0.985 299 N HN 0.471 nan 8.380 nan 0.000 0.429 300 Q N 0.437 120.265 119.800 0.046 0.000 2.096 300 Q HA -0.116 4.257 4.340 0.055 0.000 0.204 300 Q C 1.716 177.670 176.000 -0.077 0.000 0.982 300 Q CA 0.938 56.738 55.803 -0.005 0.000 0.850 300 Q CB 0.036 28.786 28.738 0.019 0.000 0.901 300 Q HN 0.248 nan 8.270 nan 0.000 0.422 301 L N 0.139 121.305 121.223 -0.095 0.000 2.093 301 L HA -0.128 4.245 4.340 0.055 0.000 0.208 301 L C 2.086 178.912 176.870 -0.073 0.000 1.085 301 L CA 1.611 56.353 54.840 -0.163 0.000 0.755 301 L CB -0.709 41.139 42.059 -0.353 0.000 0.904 301 L HN 0.344 nan 8.230 nan 0.000 0.435 302 M N -1.481 118.092 119.600 -0.046 0.000 2.067 302 M HA -0.258 4.255 4.480 0.055 0.000 0.260 302 M C 2.291 178.467 176.300 -0.206 0.000 1.069 302 M CA 1.898 57.122 55.300 -0.127 0.000 1.117 302 M CB -0.405 32.090 32.600 -0.175 0.000 1.334 302 M HN 0.140 nan 8.290 nan 0.000 0.407 303 I N -0.826 119.616 120.570 -0.212 0.000 2.202 303 I HA -0.272 3.931 4.170 0.055 0.000 0.242 303 I C 2.750 178.633 176.117 -0.390 0.000 1.091 303 I CA 1.058 62.162 61.300 -0.326 0.000 1.368 303 I CB -0.336 37.492 38.000 -0.287 0.000 1.058 303 I HN 0.278 nan 8.210 nan 0.000 0.410 304 S N 0.272 115.805 115.700 -0.278 0.000 2.359 304 S HA -0.288 4.215 4.470 0.055 0.000 0.222 304 S C 1.973 176.477 174.600 -0.161 0.000 1.038 304 S CA 1.759 59.824 58.200 -0.225 0.000 1.051 304 S CB -0.234 62.877 63.200 -0.148 0.000 0.944 304 S HN 0.439 nan 8.310 nan 0.000 0.433 305 Q N 0.049 119.738 119.800 -0.186 0.000 2.291 305 Q HA -0.085 4.288 4.340 0.055 0.000 0.206 305 Q C 2.150 178.000 176.000 -0.249 0.000 0.976 305 Q CA 1.131 56.835 55.803 -0.165 0.000 0.875 305 Q CB -0.266 28.394 28.738 -0.129 0.000 0.927 305 Q HN 0.516 nan 8.270 nan 0.000 0.450 306 L N -0.051 120.934 121.223 -0.397 0.000 2.072 306 L HA -0.155 4.218 4.340 0.055 0.000 0.205 306 L C 1.739 178.210 176.870 -0.664 0.000 1.079 306 L CA 1.314 55.772 54.840 -0.636 0.000 0.752 306 L CB -0.149 41.440 42.059 -0.783 0.000 0.906 306 L HN 0.133 nan 8.230 nan 0.000 0.436 307 L N -0.673 120.148 121.223 -0.670 0.000 2.072 307 L HA -0.131 4.242 4.340 0.055 0.000 0.205 307 L C 2.579 179.119 176.870 -0.550 0.000 1.079 307 L CA 1.680 55.983 54.840 -0.895 0.000 0.752 307 L CB -1.662 39.256 42.059 -1.902 0.000 0.906 307 L HN 0.357 nan 8.230 nan 0.000 0.436 308 H N -1.241 117.598 119.070 -0.384 0.000 2.421 308 H HA -0.144 4.445 4.556 0.055 0.000 0.298 308 H C 2.132 177.498 175.328 0.063 0.000 1.087 308 H CA 1.411 57.460 56.048 0.001 0.000 1.330 308 H CB 0.176 29.918 29.762 -0.034 0.000 1.388 308 H HN 0.238 nan 8.280 nan 0.000 0.526 309 E N -0.511 119.726 120.200 0.062 0.000 2.086 309 E HA -0.095 4.288 4.350 0.055 0.000 0.190 309 E C 1.496 178.213 176.600 0.195 0.000 0.975 309 E CA 0.656 57.095 56.400 0.064 0.000 0.813 309 E CB -0.194 29.471 29.700 -0.059 0.000 0.768 309 E HN 0.379 nan 8.360 nan 0.000 0.457 310 W N 0.844 122.144 121.300 0.001 0.000 2.381 310 W HA 0.238 4.932 4.660 0.057 0.000 0.301 310 W C 1.195 177.786 176.519 0.120 0.000 1.205 310 W CA 1.863 59.236 57.345 0.046 0.000 1.285 310 W CB -0.962 28.516 29.460 0.031 0.000 1.133 310 W HN 0.241 nan 8.180 nan 0.000 0.521 311 G N -0.175 108.882 108.800 0.428 0.000 2.795 311 G HA2 -0.346 3.647 3.960 0.055 0.000 0.664 311 G HA3 -0.346 3.647 3.960 0.055 0.000 0.664 311 G C 0.683 175.852 174.900 0.447 0.000 1.381 311 G CA 0.181 45.507 45.100 0.376 0.000 0.853 311 G HN 0.299 nan 8.290 nan 0.000 0.545 312 E N 0.308 120.637 120.200 0.215 0.000 2.033 312 E HA -0.142 4.241 4.350 0.055 0.000 0.199 312 E C 1.012 177.742 176.600 0.218 0.000 1.011 312 E CA 1.745 58.222 56.400 0.128 0.000 0.815 312 E CB -0.131 29.521 29.700 -0.079 0.000 0.755 312 E HN 0.682 nan 8.360 nan 0.000 0.451 313 E N -0.421 119.851 120.200 0.121 0.000 2.366 313 E HA 0.255 4.638 4.350 0.055 0.000 0.266 313 E C 0.416 177.059 176.600 0.072 0.000 1.015 313 E CA 0.612 57.058 56.400 0.077 0.000 0.906 313 E CB 0.963 30.686 29.700 0.039 0.000 0.979 313 E HN 0.562 nan 8.360 nan 0.000 0.443 314 G N 2.954 111.724 108.800 -0.049 0.000 2.493 314 G HA2 -0.346 3.647 3.960 0.055 0.000 0.206 314 G HA3 -0.346 3.647 3.960 0.055 0.000 0.206 314 G C 0.721 175.295 174.900 -0.543 0.000 1.109 314 G CA 0.069 45.000 45.100 -0.282 0.000 0.689 314 G HN 0.543 nan 8.290 nan 0.000 0.516 315 F N 2.110 121.962 119.950 -0.163 0.000 2.095 315 F HA 0.089 4.649 4.527 0.055 0.000 0.298 315 F C 2.754 178.472 175.800 -0.138 0.000 1.104 315 F CA 2.739 60.708 58.000 -0.051 0.000 1.232 315 F CB -0.239 38.930 39.000 0.281 0.000 0.987 315 F HN 0.187 nan 8.300 nan 0.000 0.475 316 M N 0.024 119.558 119.600 -0.110 0.000 2.156 316 M HA -0.040 4.473 4.480 0.055 0.000 0.264 316 M C 2.558 178.717 176.300 -0.235 0.000 1.067 316 M CA 1.472 56.647 55.300 -0.208 0.000 1.131 316 M CB -1.817 30.768 32.600 -0.025 0.000 1.368 316 M HN 0.275 nan 8.290 nan 0.000 0.416 317 A N -0.348 122.340 122.820 -0.220 0.000 1.948 317 A HA -0.247 4.106 4.320 0.055 0.000 0.220 317 A C 2.140 179.562 177.584 -0.270 0.000 1.177 317 A CA 1.959 53.863 52.037 -0.222 0.000 0.636 317 A CB -1.296 17.575 19.000 -0.216 0.000 0.815 317 A HN 0.588 nan 8.150 nan 0.000 0.449 318 H N -0.239 118.514 119.070 -0.528 0.000 2.293 318 H HA -0.114 4.475 4.556 0.055 0.000 0.300 318 H C 2.305 177.454 175.328 -0.298 0.000 1.082 318 H CA 2.444 58.200 56.048 -0.487 0.000 1.308 318 H CB -0.204 29.078 29.762 -0.800 0.000 1.375 318 H HN 0.401 nan 8.280 nan 0.000 0.495 319 V N 0.420 120.119 119.914 -0.359 0.000 2.515 319 V HA -0.146 4.007 4.120 0.055 0.000 0.250 319 V C 1.709 177.712 176.094 -0.151 0.000 1.058 319 V CA 2.292 64.428 62.300 -0.274 0.000 1.064 319 V CB -0.360 31.263 31.823 -0.334 0.000 0.675 319 V HN 0.212 nan 8.190 nan 0.000 0.461 320 D N 0.565 120.872 120.400 -0.156 0.000 2.092 320 D HA -0.155 4.517 4.640 0.055 0.000 0.193 320 D C 2.403 178.659 176.300 -0.074 0.000 0.994 320 D CA 1.777 55.721 54.000 -0.092 0.000 0.828 320 D CB -0.356 40.385 40.800 -0.099 0.000 0.963 320 D HN 0.444 nan 8.370 nan 0.000 0.450 321 R N -0.043 120.374 120.500 -0.139 0.000 2.117 321 R HA -0.134 4.239 4.340 0.055 0.000 0.243 321 R C 2.246 178.511 176.300 -0.058 0.000 1.143 321 R CA 1.278 57.306 56.100 -0.120 0.000 0.968 321 R CB -0.284 29.893 30.300 -0.204 0.000 0.863 321 R HN 0.230 nan 8.270 nan 0.000 0.444 322 V N -0.699 119.165 119.914 -0.083 0.000 2.992 322 V HA 0.003 4.156 4.120 0.055 0.000 0.250 322 V C 1.753 178.052 176.094 0.342 0.000 1.090 322 V CA 0.906 63.267 62.300 0.100 0.000 1.101 322 V CB -0.030 31.823 31.823 0.051 0.000 0.743 322 V HN 0.188 nan 8.190 nan 0.000 0.468 323 I N 0.912 121.618 120.570 0.228 0.000 2.361 323 I HA -0.149 4.054 4.170 0.055 0.000 0.251 323 I C 2.207 178.496 176.117 0.286 0.000 1.133 323 I CA 1.853 63.331 61.300 0.297 0.000 1.413 323 I CB -0.429 37.669 38.000 0.163 0.000 1.073 323 I HN 0.316 nan 8.210 nan 0.000 0.424 324 D N 0.440 120.941 120.400 0.168 0.000 2.123 324 D HA -0.165 4.508 4.640 0.055 0.000 0.200 324 D C 1.853 178.214 176.300 0.102 0.000 0.976 324 D CA 1.100 55.160 54.000 0.101 0.000 0.831 324 D CB -0.257 40.576 40.800 0.055 0.000 0.974 324 D HN 0.245 nan 8.370 nan 0.000 0.469 325 F N 0.797 120.753 119.950 0.010 0.000 2.031 325 F HA -0.263 4.297 4.527 0.055 0.000 0.295 325 F C 2.114 177.899 175.800 -0.023 0.000 1.133 325 F CA 1.384 59.346 58.000 -0.063 0.000 1.188 325 F CB -0.745 38.156 39.000 -0.165 0.000 0.974 325 F HN -0.106 nan 8.300 nan 0.000 0.473 326 Y N 0.308 120.672 120.300 0.106 0.000 2.139 326 Y HA -0.294 4.288 4.550 0.054 0.000 0.282 326 Y C 3.118 179.027 175.900 0.015 0.000 1.179 326 Y CA 1.903 60.090 58.100 0.146 0.000 1.161 326 Y CB -1.441 37.278 38.460 0.433 0.000 0.970 326 Y HN 0.230 nan 8.280 nan 0.000 0.511 327 S N -0.160 115.592 115.700 0.087 0.000 2.348 327 S HA -0.242 4.261 4.470 0.055 0.000 0.221 327 S C 1.847 176.236 174.600 -0.352 0.000 1.033 327 S CA 1.856 59.864 58.200 -0.320 0.000 1.010 327 S CB -0.547 62.563 63.200 -0.150 0.000 0.891 327 S HN 0.642 nan 8.310 nan 0.000 0.442 328 N N 0.342 118.885 118.700 -0.260 0.000 2.061 328 N HA -0.146 4.627 4.740 0.055 0.000 0.193 328 N C 2.071 177.385 175.510 -0.327 0.000 1.030 328 N CA 1.445 54.336 53.050 -0.265 0.000 0.856 328 N CB -0.158 38.200 38.487 -0.216 0.000 1.023 328 N HN 0.391 nan 8.380 nan 0.000 0.424 329 Q N 1.053 120.606 119.800 -0.412 0.000 2.077 329 Q HA -0.206 4.167 4.340 0.055 0.000 0.206 329 Q C 2.050 177.844 176.000 -0.344 0.000 0.989 329 Q CA 1.220 56.841 55.803 -0.304 0.000 0.853 329 Q CB -0.296 28.320 28.738 -0.203 0.000 0.907 329 Q HN 0.456 nan 8.270 nan 0.000 0.418 330 K N 0.908 120.908 120.400 -0.667 0.000 2.167 330 K HA -0.138 4.215 4.320 0.055 0.000 0.203 330 K C 1.107 177.314 176.600 -0.656 0.000 1.052 330 K CA 1.184 56.738 56.287 -1.222 0.000 0.956 330 K CB -0.020 31.412 32.500 -1.781 0.000 0.735 330 K HN -0.042 nan 8.250 nan 0.000 0.451 331 D N 1.514 121.623 120.400 -0.485 0.000 2.126 331 D HA -0.175 4.498 4.640 0.055 0.000 0.190 331 D C 1.878 178.033 176.300 -0.242 0.000 1.001 331 D CA 2.157 55.972 54.000 -0.309 0.000 0.841 331 D CB -0.300 40.352 40.800 -0.247 0.000 0.949 331 D HN 0.402 nan 8.370 nan 0.000 0.446 332 A N 0.394 123.079 122.820 -0.225 0.000 1.902 332 A HA -0.130 4.223 4.320 0.055 0.000 0.217 332 A C 2.387 179.887 177.584 -0.140 0.000 1.181 332 A CA 0.976 52.925 52.037 -0.145 0.000 0.623 332 A CB -0.753 18.183 19.000 -0.106 0.000 0.818 332 A HN 0.298 nan 8.150 nan 0.000 0.443 333 I N -0.698 119.763 120.570 -0.182 0.000 2.394 333 I HA -0.188 4.015 4.170 0.055 0.000 0.251 333 I C 2.131 178.068 176.117 -0.301 0.000 1.136 333 I CA 0.864 62.072 61.300 -0.154 0.000 1.425 333 I CB 0.009 37.983 38.000 -0.044 0.000 1.079 333 I HN 0.323 nan 8.210 nan 0.000 0.425 334 L N 0.019 121.073 121.223 -0.282 0.000 2.095 334 L HA -0.090 4.283 4.340 0.055 0.000 0.204 334 L C 2.781 179.536 176.870 -0.191 0.000 1.080 334 L CA 1.061 55.765 54.840 -0.227 0.000 0.759 334 L CB -0.836 41.157 42.059 -0.109 0.000 0.914 334 L HN 0.214 nan 8.230 nan 0.000 0.439 335 A N 0.424 123.149 122.820 -0.159 0.000 1.915 335 A HA -0.338 4.015 4.320 0.055 0.000 0.220 335 A C 2.438 179.929 177.584 -0.155 0.000 1.198 335 A CA 2.510 54.472 52.037 -0.125 0.000 0.647 335 A CB -0.864 18.073 19.000 -0.104 0.000 0.825 335 A HN 0.449 nan 8.150 nan 0.000 0.456 336 A N -1.152 121.539 122.820 -0.215 0.000 1.975 336 A HA 0.397 4.749 4.320 0.055 0.000 0.215 336 A C 2.433 179.738 177.584 -0.465 0.000 1.170 336 A CA 1.541 53.458 52.037 -0.199 0.000 0.656 336 A CB -0.781 18.158 19.000 -0.103 0.000 0.821 336 A HN 1.049 nan 8.150 nan 0.000 0.449 337 A N 0.508 122.822 122.820 -0.844 0.000 1.873 337 A HA -0.153 4.200 4.320 0.055 0.000 0.215 337 A C 1.718 179.100 177.584 -0.337 0.000 1.186 337 A CA 1.795 53.211 52.037 -1.037 0.000 0.616 337 A CB -0.622 17.446 19.000 -1.554 0.000 0.823 337 A HN 0.399 nan 8.150 nan 0.000 0.442 338 D N -0.383 119.977 120.400 -0.067 0.000 2.172 338 D HA -0.189 4.484 4.640 0.055 0.000 0.196 338 D C 1.848 178.137 176.300 -0.018 0.000 0.999 338 D CA 1.721 55.787 54.000 0.111 0.000 0.856 338 D CB -0.200 40.635 40.800 0.058 0.000 0.934 338 D HN 0.587 nan 8.370 nan 0.000 0.453 339 K N -1.141 119.173 120.400 -0.144 0.000 2.025 339 K HA -0.112 4.241 4.320 0.055 0.000 0.207 339 K C 1.670 178.047 176.600 -0.371 0.000 1.049 339 K CA 1.099 57.191 56.287 -0.326 0.000 0.933 339 K CB -0.009 32.213 32.500 -0.463 0.000 0.714 339 K HN 0.193 nan 8.250 nan 0.000 0.438 340 W N -0.780 120.500 121.300 -0.033 0.000 2.940 340 W HA 0.258 4.951 4.660 0.055 0.000 0.297 340 W C 1.210 177.759 176.519 0.050 0.000 1.149 340 W CA -0.425 56.932 57.345 0.021 0.000 1.564 340 W CB 0.598 30.096 29.460 0.063 0.000 1.010 340 W HN -0.041 nan 8.180 nan 0.000 0.578 341 L N -0.059 121.303 121.223 0.232 0.000 2.731 341 L HA 0.207 4.580 4.340 0.055 0.000 0.240 341 L C 0.401 177.468 176.870 0.328 0.000 1.120 341 L CA 0.376 55.365 54.840 0.249 0.000 0.913 341 L CB -0.152 41.948 42.059 0.070 0.000 1.213 341 L HN -0.333 nan 8.230 nan 0.000 0.515 342 T N 0.919 115.631 114.554 0.264 0.000 2.792 342 T HA 0.208 4.591 4.350 0.055 0.000 0.286 342 T C 1.199 175.956 174.700 0.095 0.000 0.970 342 T CA 1.078 63.278 62.100 0.167 0.000 1.187 342 T CB 0.545 69.461 68.868 0.081 0.000 0.915 342 T HN 0.591 nan 8.240 nan 0.000 0.529 343 G N 2.833 111.668 108.800 0.057 0.000 2.179 343 G HA2 -0.246 3.747 3.960 0.055 0.000 0.260 343 G HA3 -0.246 3.747 3.960 0.055 0.000 0.260 343 G C 0.669 175.599 174.900 0.051 0.000 0.977 343 G CA 0.239 45.355 45.100 0.027 0.000 0.641 343 G HN 0.676 nan 8.290 nan 0.000 0.533 344 L N -0.316 120.970 121.223 0.104 0.000 2.638 344 L HA 0.691 5.064 4.340 0.055 0.000 0.232 344 L C 1.118 178.053 176.870 0.109 0.000 1.099 344 L CA 0.751 55.651 54.840 0.099 0.000 0.883 344 L CB 0.344 42.478 42.059 0.124 0.000 1.136 344 L HN 0.673 nan 8.230 nan 0.000 0.492 345 A N 0.518 123.439 122.820 0.168 0.000 2.601 345 A HA 0.689 5.042 4.320 0.055 0.000 0.291 345 A C -1.518 176.187 177.584 0.203 0.000 1.075 345 A CA -0.577 51.589 52.037 0.215 0.000 0.671 345 A CB 1.355 20.553 19.000 0.331 0.000 1.277 345 A HN 0.113 nan 8.150 nan 0.000 0.417 346 E N -0.627 119.664 120.200 0.151 0.000 2.408 346 E HA 0.768 5.151 4.350 0.055 0.000 0.275 346 E C -1.298 175.382 176.600 0.133 0.000 0.935 346 E CA -0.822 55.524 56.400 -0.091 0.000 0.775 346 E CB 2.018 31.577 29.700 -0.236 0.000 1.277 346 E HN 1.429 nan 8.360 nan 0.000 0.455 347 W N -0.470 120.754 121.300 -0.125 0.000 3.298 347 W HA 0.438 5.131 4.660 0.055 0.000 0.302 347 W C -1.724 174.719 176.519 -0.126 0.000 1.255 347 W CA -0.712 56.585 57.345 -0.079 0.000 1.196 347 W CB 0.400 29.882 29.460 0.037 0.000 1.364 347 W HN 0.437 nan 8.180 nan 0.000 0.566 348 H N 1.480 120.752 119.070 0.338 0.000 2.472 348 H HA 0.399 4.988 4.556 0.055 0.000 0.335 348 H C 0.004 175.536 175.328 0.341 0.000 1.136 348 H CA -0.873 55.316 56.048 0.235 0.000 1.264 348 H CB 2.459 32.345 29.762 0.207 0.000 1.486 348 H HN 0.511 nan 8.280 nan 0.000 0.517 349 V N 4.904 125.044 119.914 0.378 0.000 2.475 349 V HA 0.012 4.165 4.120 0.055 0.000 0.292 349 V C -2.055 174.207 176.094 0.280 0.000 1.003 349 V CA -0.918 61.547 62.300 0.276 0.000 1.120 349 V CB -0.040 31.883 31.823 0.167 0.000 0.937 349 V HN 0.615 nan 8.190 nan 0.000 0.476 350 P HA 0.167 nan 4.420 nan 0.000 0.268 350 P C 0.219 177.772 177.300 0.422 0.000 1.204 350 P CA 0.252 63.571 63.100 0.366 0.000 0.768 350 P CB 1.010 33.020 31.700 0.517 0.000 0.842 351 A N 2.590 125.573 122.820 0.272 0.000 2.072 351 A HA 0.451 4.804 4.320 0.055 0.000 0.216 351 A C 0.878 178.440 177.584 -0.037 0.000 1.156 351 A CA 1.504 53.662 52.037 0.202 0.000 0.701 351 A CB -0.357 18.685 19.000 0.070 0.000 0.816 351 A HN 0.662 nan 8.150 nan 0.000 0.458 352 A N -3.659 119.025 122.820 -0.227 0.000 2.544 352 A HA 0.646 4.999 4.320 0.055 0.000 0.291 352 A C 0.374 177.665 177.584 -0.488 0.000 1.055 352 A CA 0.106 51.656 52.037 -0.811 0.000 0.651 352 A CB -0.331 18.379 19.000 -0.484 0.000 1.296 352 A HN 2.122 nan 8.150 nan 0.000 0.431 353 G N -0.662 107.798 108.800 -0.566 0.000 2.587 353 G HA2 0.239 4.232 3.960 0.055 0.000 0.212 353 G HA3 0.239 4.232 3.960 0.055 0.000 0.212 353 G C 0.329 174.904 174.900 -0.540 0.000 1.327 353 G CA 0.606 45.275 45.100 -0.719 0.000 0.898 353 G HN 2.305 nan 8.290 nan 0.000 0.551 354 M N -1.748 117.274 119.600 -0.963 0.000 2.596 354 M HA 0.670 5.182 4.480 0.055 0.000 0.364 354 M C -0.658 174.572 176.300 -1.785 0.000 1.158 354 M CA -0.142 54.295 55.300 -1.438 0.000 0.940 354 M CB 0.450 32.447 32.600 -1.005 0.000 1.388 354 M HN 0.226 nan 8.290 nan 0.000 0.522 355 F N 1.587 121.169 119.950 -0.614 0.000 2.561 355 F HA 0.772 5.332 4.527 0.054 0.000 0.321 355 F C -0.712 175.272 175.800 0.308 0.000 1.065 355 F CA -1.369 56.535 58.000 -0.159 0.000 0.934 355 F CB 1.921 40.848 39.000 -0.121 0.000 1.215 355 F HN 0.019 nan 8.300 nan 0.000 0.471 356 L N 2.792 124.383 121.223 0.613 0.000 2.386 356 L HA 0.513 4.886 4.340 0.055 0.000 0.271 356 L C -1.792 175.377 176.870 0.498 0.000 0.993 356 L CA -0.569 54.587 54.840 0.528 0.000 0.819 356 L CB 2.003 44.319 42.059 0.427 0.000 1.294 356 L HN 0.742 nan 8.230 nan 0.000 0.414 357 W N 8.165 129.607 121.300 0.237 0.000 2.393 357 W HA 0.548 5.241 4.660 0.055 0.000 0.315 357 W C -1.813 174.897 176.519 0.319 0.000 1.009 357 W CA -0.765 56.704 57.345 0.207 0.000 1.313 357 W CB 1.339 30.877 29.460 0.129 0.000 1.269 357 W HN 0.384 nan 8.180 nan 0.000 0.420 358 I N 6.416 127.015 120.570 0.048 0.000 2.389 358 I HA 0.228 4.431 4.170 0.055 0.000 0.288 358 I C 0.177 176.218 176.117 -0.128 0.000 0.999 358 I CA -0.716 60.633 61.300 0.080 0.000 1.129 358 I CB 1.996 40.042 38.000 0.077 0.000 1.288 358 I HN 0.170 nan 8.210 nan 0.000 0.444 359 K N 7.386 127.709 120.400 -0.128 0.000 2.292 359 K HA 0.346 4.699 4.320 0.055 0.000 0.270 359 K C -0.761 175.692 176.600 -0.246 0.000 1.062 359 K CA -0.432 55.564 56.287 -0.484 0.000 0.916 359 K CB 1.390 33.469 32.500 -0.700 0.000 1.166 359 K HN 0.550 nan 8.250 nan 0.000 0.458 360 V N 2.433 122.211 119.914 -0.227 0.000 2.530 360 V HA 0.334 4.487 4.120 0.055 0.000 0.282 360 V C -0.068 175.962 176.094 -0.107 0.000 1.048 360 V CA -0.581 61.660 62.300 -0.098 0.000 0.997 360 V CB 0.621 32.402 31.823 -0.069 0.000 0.987 360 V HN 0.577 nan 8.190 nan 0.000 0.477 361 K N 4.061 124.429 120.400 -0.053 0.000 2.270 361 K HA 0.450 4.803 4.320 0.055 0.000 0.276 361 K C 1.107 177.682 176.600 -0.043 0.000 1.023 361 K CA 0.338 56.592 56.287 -0.054 0.000 0.955 361 K CB 1.094 33.578 32.500 -0.028 0.000 0.975 361 K HN 1.498 nan 8.250 nan 0.000 0.471 362 G N 2.591 111.363 108.800 -0.047 0.000 2.283 362 G HA2 -0.262 3.731 3.960 0.055 0.000 0.280 362 G HA3 -0.262 3.731 3.960 0.055 0.000 0.280 362 G C -0.062 174.819 174.900 -0.032 0.000 1.029 362 G CA 0.087 45.166 45.100 -0.034 0.000 0.840 362 G HN 0.567 nan 8.290 nan 0.000 0.505 363 I N -0.183 120.360 120.570 -0.045 0.000 2.478 363 I HA 0.188 4.391 4.170 0.055 0.000 0.287 363 I C 1.163 177.251 176.117 -0.049 0.000 1.042 363 I CA -0.499 60.777 61.300 -0.040 0.000 1.067 363 I CB 1.635 39.613 38.000 -0.037 0.000 1.233 363 I HN 0.265 nan 8.210 nan 0.000 0.431 364 N N 3.790 122.469 118.700 -0.036 0.000 2.216 364 N HA -0.104 4.669 4.740 0.055 0.000 0.183 364 N C 0.088 175.579 175.510 -0.031 0.000 1.017 364 N CA 0.797 53.825 53.050 -0.035 0.000 0.861 364 N CB 0.359 38.831 38.487 -0.025 0.000 0.986 364 N HN 0.557 nan 8.380 nan 0.000 0.428 365 D N -0.877 119.510 120.400 -0.021 0.000 2.629 365 D HA 0.120 4.793 4.640 0.055 0.000 0.250 365 D C -0.371 175.924 176.300 -0.008 0.000 1.126 365 D CA -0.666 53.329 54.000 -0.009 0.000 0.852 365 D CB 2.273 43.073 40.800 -0.000 0.000 1.335 365 D HN -0.032 nan 8.370 nan 0.000 0.518 366 V N 4.358 124.271 119.914 -0.001 0.000 3.623 366 V HA 0.060 4.213 4.120 0.055 0.000 0.271 366 V C 1.750 177.852 176.094 0.013 0.000 1.248 366 V CA 0.977 63.276 62.300 -0.002 0.000 1.156 366 V CB -0.421 31.395 31.823 -0.013 0.000 0.870 366 V HN 0.507 nan 8.190 nan 0.000 0.453 367 K N 0.011 120.424 120.400 0.022 0.000 2.026 367 K HA -0.193 4.160 4.320 0.055 0.000 0.208 367 K C 2.018 178.625 176.600 0.012 0.000 1.048 367 K CA 2.013 58.315 56.287 0.024 0.000 0.929 367 K CB -0.000 32.515 32.500 0.026 0.000 0.713 367 K HN 0.444 nan 8.250 nan 0.000 0.439 368 E N 0.837 121.039 120.200 0.005 0.000 2.058 368 E HA -0.206 4.177 4.350 0.055 0.000 0.194 368 E C 1.787 178.385 176.600 -0.004 0.000 0.997 368 E CA 0.892 57.292 56.400 -0.000 0.000 0.801 368 E CB -0.245 29.453 29.700 -0.003 0.000 0.746 368 E HN 0.124 nan 8.360 nan 0.000 0.450 369 L N 0.405 121.624 121.223 -0.006 0.000 2.012 369 L HA -0.192 4.181 4.340 0.055 0.000 0.210 369 L C 1.840 178.701 176.870 -0.014 0.000 1.073 369 L CA 1.739 56.571 54.840 -0.013 0.000 0.748 369 L CB -0.315 41.734 42.059 -0.016 0.000 0.891 369 L HN 0.128 nan 8.230 nan 0.000 0.431 370 I N -0.546 120.019 120.570 -0.007 0.000 2.188 370 I HA -0.172 4.031 4.170 0.055 0.000 0.237 370 I C 2.392 178.508 176.117 -0.002 0.000 1.073 370 I CA 1.194 62.491 61.300 -0.006 0.000 1.359 370 I CB -1.274 36.731 38.000 0.008 0.000 1.083 370 I HN 0.303 nan 8.210 nan 0.000 0.412 371 E N 0.359 120.562 120.200 0.006 0.000 2.401 371 E HA -0.173 4.210 4.350 0.055 0.000 0.199 371 E C 1.667 178.267 176.600 -0.000 0.000 1.023 371 E CA 0.821 57.224 56.400 0.006 0.000 0.859 371 E CB 0.187 29.893 29.700 0.010 0.000 0.780 371 E HN 0.539 nan 8.360 nan 0.000 0.523 372 E N -0.647 119.550 120.200 -0.004 0.000 2.538 372 E HA 0.083 4.466 4.350 0.055 0.000 0.188 372 E C 1.692 178.285 176.600 -0.011 0.000 1.014 372 E CA -0.195 56.201 56.400 -0.006 0.000 1.140 372 E CB 0.221 29.918 29.700 -0.005 0.000 1.262 372 E HN -0.051 nan 8.360 nan 0.000 0.488 373 K N 1.330 121.722 120.400 -0.014 0.000 1.984 373 K HA -0.037 4.316 4.320 0.055 0.000 0.209 373 K C 2.282 178.866 176.600 -0.027 0.000 1.046 373 K CA 1.133 57.408 56.287 -0.020 0.000 0.934 373 K CB -0.228 32.259 32.500 -0.020 0.000 0.717 373 K HN 0.028 nan 8.250 nan 0.000 0.438 374 A N 1.803 124.605 122.820 -0.030 0.000 1.851 374 A HA -0.184 4.169 4.320 0.055 0.000 0.216 374 A C 2.529 180.091 177.584 -0.037 0.000 1.195 374 A CA 2.461 54.472 52.037 -0.042 0.000 0.622 374 A CB -1.217 17.755 19.000 -0.047 0.000 0.831 374 A HN 0.147 nan 8.150 nan 0.000 0.444 375 V N -0.634 119.266 119.914 -0.024 0.000 2.250 375 V HA -0.384 3.769 4.120 0.055 0.000 0.250 375 V C 2.360 178.442 176.094 -0.020 0.000 1.060 375 V CA 2.613 64.902 62.300 -0.018 0.000 1.030 375 V CB -1.254 30.564 31.823 -0.009 0.000 0.643 375 V HN 0.582 nan 8.190 nan 0.000 0.445 376 K N -0.684 119.705 120.400 -0.019 0.000 2.089 376 K HA -0.172 4.180 4.320 0.055 0.000 0.210 376 K C 1.970 178.556 176.600 -0.024 0.000 1.048 376 K CA 1.948 58.224 56.287 -0.018 0.000 0.926 376 K CB -0.196 32.295 32.500 -0.016 0.000 0.714 376 K HN 0.384 nan 8.250 nan 0.000 0.448 377 M N -0.321 119.259 119.600 -0.032 0.000 2.628 377 M HA 0.047 4.560 4.480 0.055 0.000 0.232 377 M C 0.908 177.181 176.300 -0.045 0.000 1.128 377 M CA 0.831 56.106 55.300 -0.041 0.000 1.040 377 M CB -0.150 32.419 32.600 -0.053 0.000 1.608 377 M HN 0.434 nan 8.290 nan 0.000 0.507 378 G N 0.785 109.563 108.800 -0.037 0.000 2.143 378 G HA2 -0.184 3.808 3.960 0.055 0.000 0.248 378 G HA3 -0.184 3.808 3.960 0.055 0.000 0.248 378 G C -0.056 174.818 174.900 -0.044 0.000 0.991 378 G CA 0.088 45.167 45.100 -0.034 0.000 0.689 378 G HN 0.374 nan 8.290 nan 0.000 0.522 379 V N 0.533 120.414 119.914 -0.055 0.000 2.735 379 V HA 0.812 4.964 4.120 0.055 0.000 0.310 379 V C 0.170 176.227 176.094 -0.062 0.000 1.061 379 V CA -0.810 61.445 62.300 -0.075 0.000 0.913 379 V CB 2.155 33.910 31.823 -0.114 0.000 1.005 379 V HN 0.294 nan 8.190 nan 0.000 0.428 380 L N 5.343 126.530 121.223 -0.059 0.000 2.436 380 L HA 0.670 5.043 4.340 0.055 0.000 0.268 380 L C -0.799 176.052 176.870 -0.031 0.000 0.974 380 L CA -0.270 54.551 54.840 -0.031 0.000 0.826 380 L CB 2.021 44.080 42.059 0.000 0.000 1.291 380 L HN 0.549 nan 8.230 nan 0.000 0.406 381 M N 3.572 123.162 119.600 -0.016 0.000 2.631 381 M HA 0.452 4.965 4.480 0.055 0.000 0.288 381 M C -1.421 174.920 176.300 0.068 0.000 1.260 381 M CA -0.950 54.360 55.300 0.016 0.000 0.842 381 M CB 2.803 35.385 32.600 -0.030 0.000 1.743 381 M HN 0.264 nan 8.290 nan 0.000 0.461 382 L N 3.559 124.856 121.223 0.124 0.000 2.257 382 L HA 0.509 4.882 4.340 0.055 0.000 0.290 382 L C -2.450 174.559 176.870 0.233 0.000 1.044 382 L CA -1.445 53.504 54.840 0.182 0.000 0.810 382 L CB 0.774 42.975 42.059 0.236 0.000 1.193 382 L HN 0.254 nan 8.230 nan 0.000 0.425 383 P HA 0.144 nan 4.420 nan 0.000 0.268 383 P C 0.703 178.247 177.300 0.407 0.000 1.204 383 P CA -0.002 63.229 63.100 0.218 0.000 0.768 383 P CB 0.757 32.542 31.700 0.143 0.000 0.842 384 G N 3.043 112.114 108.800 0.451 0.000 2.470 384 G HA2 -0.267 3.726 3.960 0.055 0.000 0.220 384 G HA3 -0.267 3.726 3.960 0.055 0.000 0.220 384 G C 1.176 176.577 174.900 0.834 0.000 1.121 384 G CA 0.413 46.012 45.100 0.831 0.000 0.766 384 G HN 0.473 nan 8.290 nan 0.000 0.553 385 N N 1.475 120.456 118.700 0.469 0.000 2.089 385 N HA -0.227 4.546 4.740 0.055 0.000 0.198 385 N C 2.228 177.923 175.510 0.307 0.000 1.017 385 N CA 1.858 55.108 53.050 0.334 0.000 0.880 385 N CB -0.323 38.257 38.487 0.156 0.000 1.042 385 N HN 0.365 nan 8.380 nan 0.000 0.446 386 A N -0.507 122.366 122.820 0.089 0.000 2.168 386 A HA 0.040 4.392 4.320 0.055 0.000 0.215 386 A C 0.867 178.230 177.584 -0.368 0.000 1.152 386 A CA 0.650 52.536 52.037 -0.250 0.000 0.716 386 A CB -0.534 18.144 19.000 -0.536 0.000 0.794 386 A HN 0.309 nan 8.150 nan 0.000 0.465 387 F N -1.582 118.391 119.950 0.038 0.000 2.660 387 F HA 0.329 4.888 4.527 0.055 0.000 0.297 387 F C -0.263 175.305 175.800 -0.387 0.000 1.132 387 F CA -0.244 57.629 58.000 -0.211 0.000 1.372 387 F CB -0.375 38.411 39.000 -0.357 0.000 1.003 387 F HN 0.133 nan 8.300 nan 0.000 0.524 388 Y N -2.441 117.919 120.300 0.101 0.000 2.545 388 Y HA 0.371 4.954 4.550 0.055 0.000 0.348 388 Y C 0.947 176.846 175.900 -0.001 0.000 1.002 388 Y CA -1.232 56.907 58.100 0.065 0.000 1.039 388 Y CB 1.214 39.731 38.460 0.094 0.000 1.271 388 Y HN -0.312 nan 8.280 nan 0.000 0.467 389 V N 0.108 120.113 119.914 0.151 0.000 2.255 389 V HA -0.269 3.884 4.120 0.055 0.000 0.247 389 V C 0.502 176.620 176.094 0.040 0.000 1.051 389 V CA 2.180 64.511 62.300 0.052 0.000 1.018 389 V CB -0.326 31.523 31.823 0.042 0.000 0.641 389 V HN 0.777 nan 8.190 nan 0.000 0.445 390 D N -0.261 120.185 120.400 0.077 0.000 2.422 390 D HA 0.118 4.791 4.640 0.055 0.000 0.227 390 D C 1.085 177.413 176.300 0.047 0.000 1.190 390 D CA 0.567 54.587 54.000 0.034 0.000 0.905 390 D CB 0.765 41.575 40.800 0.018 0.000 1.034 390 D HN 0.333 nan 8.370 nan 0.000 0.507 391 S N 1.245 116.959 115.700 0.022 0.000 2.575 391 S HA -0.051 4.452 4.470 0.055 0.000 0.215 391 S C 1.479 176.090 174.600 0.018 0.000 0.966 391 S CA 0.230 58.455 58.200 0.041 0.000 0.911 391 S CB -0.151 63.047 63.200 -0.003 0.000 0.780 391 S HN 0.310 nan 8.310 nan 0.000 0.514 392 S N 0.811 116.510 115.700 -0.001 0.000 2.548 392 S HA 0.539 5.042 4.470 0.055 0.000 0.215 392 S C 0.825 175.420 174.600 -0.007 0.000 0.976 392 S CA -0.020 58.176 58.200 -0.005 0.000 0.908 392 S CB -0.312 62.881 63.200 -0.012 0.000 0.781 392 S HN 0.705 nan 8.310 nan 0.000 0.519 393 A N 3.760 126.570 122.820 -0.017 0.000 2.462 393 A HA 0.503 4.856 4.320 0.055 0.000 0.243 393 A C -2.125 175.438 177.584 -0.035 0.000 1.076 393 A CA -1.387 50.626 52.037 -0.041 0.000 0.773 393 A CB -0.447 18.500 19.000 -0.087 0.000 1.010 393 A HN 0.366 nan 8.150 nan 0.000 0.493 394 P HA 0.044 nan 4.420 nan 0.000 0.264 394 P C -0.325 176.962 177.300 -0.021 0.000 1.183 394 P CA 0.427 63.516 63.100 -0.018 0.000 0.763 394 P CB 0.720 32.407 31.700 -0.022 0.000 0.807 395 S N 3.080 118.795 115.700 0.025 0.000 2.647 395 S HA 0.512 5.015 4.470 0.055 0.000 0.300 395 S C -2.271 172.361 174.600 0.053 0.000 1.129 395 S CA -1.707 56.542 58.200 0.081 0.000 1.029 395 S CB 1.394 64.721 63.200 0.211 0.000 1.007 395 S HN 0.196 nan 8.310 nan 0.000 0.484 396 P HA 0.205 nan 4.420 nan 0.000 0.257 396 P C -0.827 176.310 177.300 -0.273 0.000 1.325 396 P CA 0.056 63.062 63.100 -0.156 0.000 0.850 396 P CB -0.354 31.202 31.700 -0.241 0.000 1.324 397 Y N -0.083 120.093 120.300 -0.207 0.000 2.387 397 Y HA 0.442 5.025 4.550 0.055 0.000 0.330 397 Y C 0.770 176.405 175.900 -0.442 0.000 1.133 397 Y CA -0.852 56.921 58.100 -0.546 0.000 1.152 397 Y CB 1.455 39.242 38.460 -1.122 0.000 1.215 397 Y HN -0.288 nan 8.280 nan 0.000 0.466 398 L N 3.551 124.591 121.223 -0.305 0.000 2.346 398 L HA 0.567 4.940 4.340 0.055 0.000 0.276 398 L C -0.306 176.583 176.870 0.032 0.000 1.006 398 L CA -0.922 53.871 54.840 -0.078 0.000 0.817 398 L CB 1.984 44.026 42.059 -0.029 0.000 1.272 398 L HN 0.527 nan 8.230 nan 0.000 0.421 399 R N 2.284 122.913 120.500 0.215 0.000 2.265 399 R HA 0.720 5.093 4.340 0.055 0.000 0.319 399 R C -0.894 175.534 176.300 0.213 0.000 1.006 399 R CA -0.307 55.952 56.100 0.265 0.000 0.880 399 R CB 1.443 31.787 30.300 0.073 0.000 1.077 399 R HN 0.752 nan 8.270 nan 0.000 0.454 400 A N 2.862 125.853 122.820 0.286 0.000 2.343 400 A HA 0.362 4.714 4.320 0.055 0.000 0.316 400 A C -0.895 176.940 177.584 0.419 0.000 1.104 400 A CA -0.530 51.677 52.037 0.284 0.000 0.768 400 A CB 1.897 21.037 19.000 0.233 0.000 1.213 400 A HN 0.609 nan 8.150 nan 0.000 0.456 401 S N 1.568 117.479 115.700 0.353 0.000 2.438 401 S HA 0.501 5.004 4.470 0.055 0.000 0.293 401 S C 0.175 174.888 174.600 0.189 0.000 1.141 401 S CA -0.593 57.748 58.200 0.235 0.000 1.080 401 S CB -0.280 63.040 63.200 0.200 0.000 0.978 401 S HN 0.916 nan 8.310 nan 0.000 0.479 402 F N 3.456 123.479 119.950 0.121 0.000 2.664 402 F HA 0.280 4.840 4.527 0.055 0.000 0.301 402 F C 1.686 177.552 175.800 0.109 0.000 1.126 402 F CA -0.178 57.879 58.000 0.096 0.000 1.373 402 F CB -0.776 38.263 39.000 0.065 0.000 1.042 402 F HN 0.546 nan 8.300 nan 0.000 0.535 403 S N -1.006 114.741 115.700 0.078 0.000 2.436 403 S HA -0.046 4.456 4.470 0.055 0.000 0.228 403 S C 1.489 176.227 174.600 0.230 0.000 1.014 403 S CA 1.093 59.427 58.200 0.224 0.000 0.950 403 S CB -0.419 62.917 63.200 0.227 0.000 0.784 403 S HN 0.365 nan 8.310 nan 0.000 0.504 404 S N 0.667 116.476 115.700 0.183 0.000 2.818 404 S HA 0.587 5.090 4.470 0.055 0.000 0.251 404 S C 0.825 175.511 174.600 0.144 0.000 1.083 404 S CA 0.029 58.330 58.200 0.168 0.000 0.871 404 S CB -0.097 63.178 63.200 0.127 0.000 0.831 404 S HN 0.748 nan 8.310 nan 0.000 0.470 405 A N 2.817 125.716 122.820 0.130 0.000 2.507 405 A HA 0.500 4.853 4.320 0.055 0.000 0.235 405 A C 0.676 178.318 177.584 0.098 0.000 1.070 405 A CA 0.085 52.185 52.037 0.106 0.000 0.768 405 A CB -0.029 19.036 19.000 0.109 0.000 1.011 405 A HN 0.513 nan 8.150 nan 0.000 0.502 406 S N 1.653 117.401 115.700 0.079 0.000 2.646 406 S HA 0.498 5.001 4.470 0.055 0.000 0.276 406 S C -1.894 172.743 174.600 0.061 0.000 1.222 406 S CA -1.020 57.220 58.200 0.066 0.000 1.014 406 S CB 1.021 64.256 63.200 0.058 0.000 0.991 406 S HN 0.390 nan 8.310 nan 0.000 0.533 407 P HA -0.176 nan 4.420 nan 0.000 0.217 407 P C 1.008 178.348 177.300 0.066 0.000 1.158 407 P CA 1.685 64.811 63.100 0.043 0.000 0.887 407 P CB -0.036 31.677 31.700 0.022 0.000 0.792 408 E N -0.347 119.887 120.200 0.058 0.000 2.038 408 E HA -0.220 4.162 4.350 0.055 0.000 0.195 408 E C 2.133 178.771 176.600 0.063 0.000 1.000 408 E CA 1.399 57.835 56.400 0.062 0.000 0.803 408 E CB -1.084 28.644 29.700 0.047 0.000 0.750 408 E HN 0.468 nan 8.360 nan 0.000 0.448 409 Q N 0.003 119.836 119.800 0.056 0.000 2.124 409 Q HA -0.084 4.289 4.340 0.055 0.000 0.202 409 Q C 2.228 178.261 176.000 0.055 0.000 0.977 409 Q CA 1.408 57.237 55.803 0.043 0.000 0.850 409 Q CB -0.347 28.415 28.738 0.041 0.000 0.901 409 Q HN 0.344 nan 8.270 nan 0.000 0.429 410 M N 0.813 120.476 119.600 0.105 0.000 2.159 410 M HA -0.170 4.343 4.480 0.055 0.000 0.263 410 M C 1.573 178.039 176.300 0.276 0.000 1.063 410 M CA 1.499 56.920 55.300 0.201 0.000 1.110 410 M CB -0.321 32.421 32.600 0.237 0.000 1.374 410 M HN 0.145 nan 8.290 nan 0.000 0.411 411 D N 0.340 120.859 120.400 0.198 0.000 2.104 411 D HA -0.148 4.524 4.640 0.055 0.000 0.194 411 D C 1.799 178.142 176.300 0.072 0.000 0.994 411 D CA 1.410 55.551 54.000 0.236 0.000 0.830 411 D CB 0.190 41.117 40.800 0.211 0.000 0.959 411 D HN 0.083 nan 8.370 nan 0.000 0.452 412 V N 0.507 120.421 119.914 0.000 0.000 2.379 412 V HA -0.111 4.042 4.120 0.055 0.000 0.245 412 V C 2.493 178.487 176.094 -0.167 0.000 1.044 412 V CA 1.405 63.637 62.300 -0.113 0.000 1.036 412 V CB -0.891 30.894 31.823 -0.064 0.000 0.664 412 V HN 0.304 nan 8.190 nan 0.000 0.453 413 A N 0.095 122.840 122.820 -0.125 0.000 1.884 413 A HA -0.279 4.074 4.320 0.055 0.000 0.219 413 A C 2.083 179.457 177.584 -0.350 0.000 1.197 413 A CA 2.423 54.315 52.037 -0.241 0.000 0.637 413 A CB -0.869 17.958 19.000 -0.289 0.000 0.827 413 A HN 0.486 nan 8.150 nan 0.000 0.450 414 F N 0.085 119.933 119.950 -0.169 0.000 2.163 414 F HA -0.142 4.418 4.527 0.055 0.000 0.297 414 F C 2.833 178.402 175.800 -0.384 0.000 1.094 414 F CA 1.587 59.481 58.000 -0.176 0.000 1.290 414 F CB -0.403 38.584 39.000 -0.021 0.000 1.017 414 F HN 0.460 nan 8.300 nan 0.000 0.483 415 Q N 0.274 119.626 119.800 -0.747 0.000 2.096 415 Q HA -0.151 4.222 4.340 0.055 0.000 0.204 415 Q C 1.806 177.441 176.000 -0.608 0.000 0.982 415 Q CA 2.182 57.149 55.803 -1.394 0.000 0.850 415 Q CB -1.368 25.965 28.738 -2.341 0.000 0.901 415 Q HN 0.262 nan 8.270 nan 0.000 0.422 416 V N 0.444 120.110 119.914 -0.413 0.000 2.358 416 V HA -0.189 3.963 4.120 0.055 0.000 0.246 416 V C 2.197 178.189 176.094 -0.169 0.000 1.047 416 V CA 1.555 63.708 62.300 -0.246 0.000 1.035 416 V CB -0.579 31.125 31.823 -0.197 0.000 0.658 416 V HN 0.473 nan 8.190 nan 0.000 0.452 417 L N 0.815 121.936 121.223 -0.169 0.000 2.027 417 L HA -0.017 4.356 4.340 0.055 0.000 0.206 417 L C 2.447 179.295 176.870 -0.037 0.000 1.074 417 L CA 2.415 57.187 54.840 -0.113 0.000 0.745 417 L CB -0.924 41.035 42.059 -0.167 0.000 0.898 417 L HN 0.193 nan 8.230 nan 0.000 0.433 418 A N -0.837 121.990 122.820 0.012 0.000 1.908 418 A HA -0.296 4.057 4.320 0.055 0.000 0.218 418 A C 2.318 179.926 177.584 0.039 0.000 1.181 418 A CA 1.848 53.933 52.037 0.079 0.000 0.627 418 A CB -0.889 18.227 19.000 0.193 0.000 0.818 418 A HN 0.701 nan 8.150 nan 0.000 0.445 419 Q N -0.354 119.434 119.800 -0.020 0.000 2.096 419 Q HA -0.220 4.152 4.340 0.055 0.000 0.208 419 Q C 1.961 177.955 176.000 -0.010 0.000 0.993 419 Q CA 2.117 57.908 55.803 -0.020 0.000 0.862 419 Q CB -0.232 28.465 28.738 -0.069 0.000 0.915 419 Q HN 0.670 nan 8.270 nan 0.000 0.416 420 L N -0.084 121.124 121.223 -0.025 0.000 2.209 420 L HA -0.064 4.309 4.340 0.055 0.000 0.207 420 L C 2.395 179.260 176.870 -0.009 0.000 1.094 420 L CA 0.183 55.011 54.840 -0.021 0.000 0.790 420 L CB -0.120 41.918 42.059 -0.034 0.000 0.932 420 L HN 0.226 nan 8.230 nan 0.000 0.447 421 I N -0.071 120.498 120.570 -0.001 0.000 2.208 421 I HA -0.325 3.878 4.170 0.055 0.000 0.245 421 I C 2.385 178.511 176.117 0.014 0.000 1.097 421 I CA 1.524 62.829 61.300 0.008 0.000 1.363 421 I CB -0.185 37.829 38.000 0.024 0.000 1.051 421 I HN 0.177 nan 8.210 nan 0.000 0.413 422 K N 0.324 120.738 120.400 0.023 0.000 2.217 422 K HA -0.142 4.211 4.320 0.055 0.000 0.202 422 K C 1.860 178.468 176.600 0.014 0.000 1.051 422 K CA 1.024 57.326 56.287 0.025 0.000 0.952 422 K CB -0.058 32.466 32.500 0.039 0.000 0.736 422 K HN 0.394 nan 8.250 nan 0.000 0.453 423 E N 0.121 120.325 120.200 0.007 0.000 2.208 423 E HA -0.060 4.322 4.350 0.055 0.000 0.193 423 E C 1.376 177.976 176.600 -0.000 0.000 0.988 423 E CA 0.774 57.175 56.400 0.002 0.000 0.828 423 E CB 0.221 29.919 29.700 -0.004 0.000 0.763 423 E HN 0.090 nan 8.360 nan 0.000 0.478 424 S N 0.354 116.052 115.700 -0.002 0.000 2.548 424 S HA 0.128 4.631 4.470 0.055 0.000 0.215 424 S C 0.843 175.441 174.600 -0.004 0.000 0.976 424 S CA -0.113 58.084 58.200 -0.004 0.000 0.908 424 S CB 0.273 63.468 63.200 -0.008 0.000 0.781 424 S HN 0.085 nan 8.310 nan 0.000 0.519 425 L N 0.000 121.223 121.223 -0.000 0.000 2.949 425 L HA 0.000 4.373 4.340 0.055 0.000 0.249 425 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 425 L CB 0.000 42.061 42.059 0.003 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502